USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 650 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 37 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 59 SER OG : rot 180:sc= -0.54 USER MOD Set 2.1: A 46 SER OG : rot 170:sc= -0.859 USER MOD Set 2.2: A 48 MET CE :methyl -174:sc= -3.02! (180deg=-3!) USER MOD Set 3.1: A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 3.2: A 25 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 12 THR OG1 : rot 144:sc= 0.957 USER MOD Set 4.2: A 15 HIS : no HD1:sc= -22.6! C(o=-22!,f=-40!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS : no HE2:sc= -23.5! C(o=-23!,f=-15!) USER MOD Single : A 20 THR OG1 : rot 99:sc= -0.343! USER MOD Single : A 27 SER OG : rot -61:sc= -6.3! USER MOD Single : A 28 LYS NZ :NH3+ 148:sc= 0.842 (180deg=-0.941!) USER MOD Single : A 30 ASN : amide:sc= -0.246 K(o=-0.25,f=-1.9!) USER MOD Single : A 31 SER OG : rot 8:sc= -6.09! USER MOD Single : A 34 ASN : amide:sc= -6.46! C(o=-6.5!,f=-9.5!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -160:sc= -9.18! (180deg=-10.3!) USER MOD Single : A 41 SER OG : rot -6:sc= 0.861 USER MOD Single : A 43 ASN : amide:sc= 0.895 K(o=0.89,f=-4.2!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl 164:sc= -3.91! (180deg=-4.98!) USER MOD Single : A 52 SER OG : rot -38:sc= 0.328 USER MOD Single : A 57 GLN : amide:sc= -0.14 K(o=-0.14,f=-2.1!) USER MOD Single : A 62 THR OG1 : rot 130:sc= -8.91! USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.193 USER MOD Single : A 74 MET CE :methyl -113:sc= -7.1! (180deg=-8.97!) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -6.24! C(o=-6.2!,f=-7.4!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N GLU A 2 -1.602 -9.441 -8.777 1.00 1.00 N ATOM 19 CA GLU A 2 -2.724 -8.524 -8.885 1.00 1.00 C ATOM 20 C GLU A 2 -2.372 -7.176 -8.252 1.00 1.00 C ATOM 21 O GLU A 2 -2.507 -7.001 -7.042 1.00 1.00 O ATOM 22 CB GLU A 2 -3.981 -9.118 -8.246 1.00 1.00 C ATOM 23 CG GLU A 2 -4.460 -10.348 -9.020 1.00 1.00 C ATOM 24 CD GLU A 2 -5.974 -10.302 -9.239 1.00 1.00 C ATOM 25 OE1 GLU A 2 -6.656 -9.718 -8.369 1.00 1.00 O ATOM 26 OE2 GLU A 2 -6.416 -10.851 -10.271 1.00 1.00 O ATOM 0 HA GLU A 2 -2.935 -8.362 -9.942 1.00 1.00 H new ATOM 0 HB2 GLU A 2 -3.773 -9.393 -7.212 1.00 1.00 H new ATOM 0 HB3 GLU A 2 -4.771 -8.368 -8.223 1.00 1.00 H new ATOM 0 HG2 GLU A 2 -3.951 -10.398 -9.983 1.00 1.00 H new ATOM 0 HG3 GLU A 2 -4.195 -11.253 -8.473 1.00 1.00 H new ATOM 33 N LYS A 3 -1.926 -6.259 -9.098 1.00 1.00 N ATOM 34 CA LYS A 3 -1.554 -4.933 -8.637 1.00 1.00 C ATOM 35 C LYS A 3 -2.765 -4.004 -8.737 1.00 1.00 C ATOM 36 O LYS A 3 -3.637 -4.203 -9.582 1.00 1.00 O ATOM 37 CB LYS A 3 -0.325 -4.427 -9.396 1.00 1.00 C ATOM 38 CG LYS A 3 -0.657 -3.167 -10.198 1.00 1.00 C ATOM 39 CD LYS A 3 0.435 -2.868 -11.227 1.00 1.00 C ATOM 40 CE LYS A 3 0.435 -3.912 -12.345 1.00 1.00 C ATOM 41 NZ LYS A 3 1.014 -3.345 -13.584 1.00 1.00 N ATOM 0 H LYS A 3 -1.814 -6.409 -10.101 1.00 1.00 H new ATOM 0 HA LYS A 3 -1.261 -4.963 -7.587 1.00 1.00 H new ATOM 0 HB2 LYS A 3 0.479 -4.213 -8.692 1.00 1.00 H new ATOM 0 HB3 LYS A 3 0.038 -5.205 -10.068 1.00 1.00 H new ATOM 0 HG2 LYS A 3 -1.614 -3.296 -10.705 1.00 1.00 H new ATOM 0 HG3 LYS A 3 -0.766 -2.319 -9.522 1.00 1.00 H new ATOM 0 HD2 LYS A 3 0.279 -1.876 -11.651 1.00 1.00 H new ATOM 0 HD3 LYS A 3 1.408 -2.855 -10.736 1.00 1.00 H new ATOM 0 HE2 LYS A 3 1.009 -4.785 -12.035 1.00 1.00 H new ATOM 0 HE3 LYS A 3 -0.584 -4.251 -12.534 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 1.006 -4.067 -14.333 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 0.450 -2.526 -13.887 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 1.993 -3.044 -13.404 1.00 1.00 H new ATOM 55 N LYS A 4 -2.780 -3.007 -7.864 1.00 1.00 N ATOM 56 CA LYS A 4 -3.870 -2.047 -7.844 1.00 1.00 C ATOM 57 C LYS A 4 -3.315 -0.659 -7.516 1.00 1.00 C ATOM 58 O LYS A 4 -2.845 -0.421 -6.405 1.00 1.00 O ATOM 59 CB LYS A 4 -4.974 -2.508 -6.890 1.00 1.00 C ATOM 60 CG LYS A 4 -6.262 -1.714 -7.116 1.00 1.00 C ATOM 61 CD LYS A 4 -6.936 -2.125 -8.427 1.00 1.00 C ATOM 62 CE LYS A 4 -8.145 -1.236 -8.724 1.00 1.00 C ATOM 63 NZ LYS A 4 -8.788 -1.643 -9.993 1.00 1.00 N ATOM 0 H LYS A 4 -2.055 -2.844 -7.166 1.00 1.00 H new ATOM 0 HA LYS A 4 -4.337 -1.981 -8.827 1.00 1.00 H new ATOM 0 HB2 LYS A 4 -5.167 -3.570 -7.038 1.00 1.00 H new ATOM 0 HB3 LYS A 4 -4.643 -2.385 -5.859 1.00 1.00 H new ATOM 0 HG2 LYS A 4 -6.946 -1.879 -6.284 1.00 1.00 H new ATOM 0 HG3 LYS A 4 -6.037 -0.648 -7.137 1.00 1.00 H new ATOM 0 HD2 LYS A 4 -6.220 -2.056 -9.246 1.00 1.00 H new ATOM 0 HD3 LYS A 4 -7.252 -3.166 -8.367 1.00 1.00 H new ATOM 0 HE2 LYS A 4 -8.863 -1.304 -7.907 1.00 1.00 H new ATOM 0 HE3 LYS A 4 -7.831 -0.194 -8.786 1.00 1.00 H new ATOM 0 HZ1 LYS A 4 -9.607 -1.030 -10.180 1.00 1.00 H new ATOM 0 HZ2 LYS A 4 -8.105 -1.555 -10.772 1.00 1.00 H new ATOM 0 HZ3 LYS A 4 -9.105 -2.631 -9.920 1.00 1.00 H new ATOM 77 N GLU A 5 -3.387 0.221 -8.505 1.00 1.00 N ATOM 78 CA GLU A 5 -2.897 1.578 -8.335 1.00 1.00 C ATOM 79 C GLU A 5 -3.943 2.434 -7.618 1.00 1.00 C ATOM 80 O GLU A 5 -5.118 2.074 -7.570 1.00 1.00 O ATOM 81 CB GLU A 5 -2.515 2.195 -9.682 1.00 1.00 C ATOM 82 CG GLU A 5 -1.629 1.243 -10.490 1.00 1.00 C ATOM 83 CD GLU A 5 -2.425 0.575 -11.613 1.00 1.00 C ATOM 84 OE1 GLU A 5 -2.952 1.327 -12.460 1.00 1.00 O ATOM 85 OE2 GLU A 5 -2.487 -0.674 -11.599 1.00 1.00 O ATOM 0 H GLU A 5 -3.777 0.020 -9.426 1.00 1.00 H new ATOM 0 HA GLU A 5 -1.998 1.545 -7.719 1.00 1.00 H new ATOM 0 HB2 GLU A 5 -3.417 2.427 -10.249 1.00 1.00 H new ATOM 0 HB3 GLU A 5 -1.990 3.136 -9.519 1.00 1.00 H new ATOM 0 HG2 GLU A 5 -0.788 1.793 -10.913 1.00 1.00 H new ATOM 0 HG3 GLU A 5 -1.212 0.481 -9.831 1.00 1.00 H new ATOM 92 N PHE A 6 -3.478 3.550 -7.077 1.00 1.00 N ATOM 93 CA PHE A 6 -4.358 4.460 -6.364 1.00 1.00 C ATOM 94 C PHE A 6 -3.709 5.836 -6.202 1.00 1.00 C ATOM 95 O PHE A 6 -2.608 6.070 -6.698 1.00 1.00 O ATOM 96 CB PHE A 6 -4.599 3.856 -4.979 1.00 1.00 C ATOM 97 CG PHE A 6 -5.222 2.459 -5.010 1.00 1.00 C ATOM 98 CD1 PHE A 6 -6.569 2.317 -5.129 1.00 1.00 C ATOM 99 CD2 PHE A 6 -4.428 1.359 -4.918 1.00 1.00 C ATOM 100 CE1 PHE A 6 -7.147 1.021 -5.157 1.00 1.00 C ATOM 101 CE2 PHE A 6 -5.006 0.062 -4.947 1.00 1.00 C ATOM 102 CZ PHE A 6 -6.353 -0.080 -5.065 1.00 1.00 C ATOM 0 H PHE A 6 -2.502 3.845 -7.118 1.00 1.00 H new ATOM 0 HA PHE A 6 -5.287 4.590 -6.918 1.00 1.00 H new ATOM 0 HB2 PHE A 6 -3.650 3.808 -4.445 1.00 1.00 H new ATOM 0 HB3 PHE A 6 -5.251 4.521 -4.412 1.00 1.00 H new ATOM 0 HD1 PHE A 6 -7.199 3.191 -5.202 1.00 1.00 H new ATOM 0 HD2 PHE A 6 -3.358 1.472 -4.823 1.00 1.00 H new ATOM 0 HE1 PHE A 6 -8.217 0.909 -5.251 1.00 1.00 H new ATOM 0 HE2 PHE A 6 -4.375 -0.812 -4.875 1.00 1.00 H new ATOM 0 HZ PHE A 6 -6.793 -1.066 -5.086 1.00 1.00 H new ATOM 112 N HIS A 7 -4.419 6.711 -5.505 1.00 1.00 N ATOM 113 CA HIS A 7 -3.926 8.058 -5.270 1.00 1.00 C ATOM 114 C HIS A 7 -4.362 8.530 -3.882 1.00 1.00 C ATOM 115 O HIS A 7 -5.523 8.375 -3.506 1.00 1.00 O ATOM 116 CB HIS A 7 -4.376 9.003 -6.386 1.00 1.00 C ATOM 117 CG HIS A 7 -4.711 10.397 -5.912 1.00 1.00 C ATOM 118 ND1 HIS A 7 -4.143 11.533 -6.462 1.00 1.00 N ATOM 119 CD2 HIS A 7 -5.562 10.826 -4.935 1.00 1.00 C ATOM 120 CE1 HIS A 7 -4.636 12.592 -5.836 1.00 1.00 C ATOM 121 NE2 HIS A 7 -5.515 12.152 -4.891 1.00 1.00 N ATOM 0 H HIS A 7 -5.332 6.514 -5.095 1.00 1.00 H new ATOM 0 HA HIS A 7 -2.836 8.059 -5.289 1.00 1.00 H new ATOM 0 HB2 HIS A 7 -3.587 9.065 -7.136 1.00 1.00 H new ATOM 0 HB3 HIS A 7 -5.251 8.577 -6.878 1.00 1.00 H new ATOM 0 HD1 HIS A 7 -3.461 11.552 -7.220 1.00 1.00 H new ATOM 0 HD2 HIS A 7 -6.170 10.194 -4.305 1.00 1.00 H new ATOM 0 HE1 HIS A 7 -4.385 13.623 -6.039 1.00 1.00 H new ATOM 129 N ILE A 8 -3.408 9.095 -3.157 1.00 1.00 N ATOM 130 CA ILE A 8 -3.678 9.590 -1.819 1.00 1.00 C ATOM 131 C ILE A 8 -4.735 10.694 -1.892 1.00 1.00 C ATOM 132 O ILE A 8 -4.640 11.595 -2.724 1.00 1.00 O ATOM 133 CB ILE A 8 -2.380 10.026 -1.136 1.00 1.00 C ATOM 134 CG1 ILE A 8 -1.380 8.870 -1.070 1.00 1.00 C ATOM 135 CG2 ILE A 8 -2.660 10.621 0.246 1.00 1.00 C ATOM 136 CD1 ILE A 8 -2.103 7.526 -0.955 1.00 1.00 C ATOM 0 H ILE A 8 -2.446 9.221 -3.472 1.00 1.00 H new ATOM 0 HA ILE A 8 -4.088 8.796 -1.195 1.00 1.00 H new ATOM 0 HB ILE A 8 -1.925 10.812 -1.739 1.00 1.00 H new ATOM 0 HG12 ILE A 8 -0.753 8.875 -1.962 1.00 1.00 H new ATOM 0 HG13 ILE A 8 -0.718 9.005 -0.215 1.00 1.00 H new ATOM 0 HG21 ILE A 8 -1.721 10.923 0.709 1.00 1.00 H new ATOM 0 HG22 ILE A 8 -3.309 11.490 0.143 1.00 1.00 H new ATOM 0 HG23 ILE A 8 -3.150 9.874 0.871 1.00 1.00 H new ATOM 0 HD11 ILE A 8 -1.370 6.721 -0.910 1.00 1.00 H new ATOM 0 HD12 ILE A 8 -2.710 7.515 -0.049 1.00 1.00 H new ATOM 0 HD13 ILE A 8 -2.746 7.383 -1.824 1.00 1.00 H new ATOM 148 N VAL A 9 -5.717 10.588 -1.009 1.00 1.00 N ATOM 149 CA VAL A 9 -6.791 11.567 -0.963 1.00 1.00 C ATOM 150 C VAL A 9 -6.976 12.047 0.478 1.00 1.00 C ATOM 151 O VAL A 9 -7.981 12.680 0.800 1.00 1.00 O ATOM 152 CB VAL A 9 -8.066 10.972 -1.564 1.00 1.00 C ATOM 153 CG1 VAL A 9 -7.931 10.801 -3.079 1.00 1.00 C ATOM 154 CG2 VAL A 9 -8.423 9.645 -0.892 1.00 1.00 C ATOM 0 H VAL A 9 -5.792 9.840 -0.320 1.00 1.00 H new ATOM 0 HA VAL A 9 -6.540 12.440 -1.566 1.00 1.00 H new ATOM 0 HB VAL A 9 -8.881 11.671 -1.377 1.00 1.00 H new ATOM 0 HG11 VAL A 9 -8.851 10.376 -3.481 1.00 1.00 H new ATOM 0 HG12 VAL A 9 -7.748 11.772 -3.540 1.00 1.00 H new ATOM 0 HG13 VAL A 9 -7.098 10.133 -3.297 1.00 1.00 H new ATOM 0 HG21 VAL A 9 -9.333 9.244 -1.338 1.00 1.00 H new ATOM 0 HG22 VAL A 9 -7.607 8.935 -1.032 1.00 1.00 H new ATOM 0 HG23 VAL A 9 -8.583 9.808 0.174 1.00 1.00 H new ATOM 164 N ALA A 10 -5.992 11.727 1.305 1.00 1.00 N ATOM 165 CA ALA A 10 -6.035 12.118 2.704 1.00 1.00 C ATOM 166 C ALA A 10 -5.331 13.466 2.874 1.00 1.00 C ATOM 167 O ALA A 10 -5.518 14.145 3.883 1.00 1.00 O ATOM 168 CB ALA A 10 -5.403 11.019 3.561 1.00 1.00 C ATOM 0 H ALA A 10 -5.161 11.202 1.034 1.00 1.00 H new ATOM 0 HA ALA A 10 -7.066 12.239 3.037 1.00 1.00 H new ATOM 0 HB1 ALA A 10 -5.435 11.312 4.610 1.00 1.00 H new ATOM 0 HB2 ALA A 10 -5.956 10.090 3.427 1.00 1.00 H new ATOM 0 HB3 ALA A 10 -4.367 10.871 3.257 1.00 1.00 H new ATOM 174 N GLU A 11 -4.537 13.814 1.872 1.00 1.00 N ATOM 175 CA GLU A 11 -3.805 15.069 1.898 1.00 1.00 C ATOM 176 C GLU A 11 -3.139 15.266 3.261 1.00 1.00 C ATOM 177 O GLU A 11 -2.763 16.382 3.616 1.00 1.00 O ATOM 178 CB GLU A 11 -4.723 16.246 1.560 1.00 1.00 C ATOM 179 CG GLU A 11 -5.726 16.500 2.687 1.00 1.00 C ATOM 180 CD GLU A 11 -6.421 17.851 2.508 1.00 1.00 C ATOM 181 OE1 GLU A 11 -7.460 17.867 1.814 1.00 1.00 O ATOM 182 OE2 GLU A 11 -5.897 18.837 3.070 1.00 1.00 O ATOM 0 H GLU A 11 -4.385 13.249 1.037 1.00 1.00 H new ATOM 0 HA GLU A 11 -3.026 15.029 1.137 1.00 1.00 H new ATOM 0 HB2 GLU A 11 -4.125 17.142 1.392 1.00 1.00 H new ATOM 0 HB3 GLU A 11 -5.257 16.041 0.632 1.00 1.00 H new ATOM 0 HG2 GLU A 11 -6.470 15.704 2.703 1.00 1.00 H new ATOM 0 HG3 GLU A 11 -5.212 16.476 3.648 1.00 1.00 H new ATOM 189 N THR A 12 -3.012 14.166 3.987 1.00 1.00 N ATOM 190 CA THR A 12 -2.398 14.204 5.304 1.00 1.00 C ATOM 191 C THR A 12 -0.873 14.183 5.181 1.00 1.00 C ATOM 192 O THR A 12 -0.199 15.118 5.611 1.00 1.00 O ATOM 193 CB THR A 12 -2.958 13.038 6.121 1.00 1.00 C ATOM 194 OG1 THR A 12 -2.981 13.531 7.458 1.00 1.00 O ATOM 195 CG2 THR A 12 -1.997 11.849 6.179 1.00 1.00 C ATOM 0 H THR A 12 -3.324 13.242 3.689 1.00 1.00 H new ATOM 0 HA THR A 12 -2.638 15.130 5.826 1.00 1.00 H new ATOM 0 HB THR A 12 -3.907 12.717 5.692 1.00 1.00 H new ATOM 0 HG1 THR A 12 -3.769 13.180 7.922 1.00 1.00 H new ATOM 0 HG21 THR A 12 -2.443 11.049 6.771 1.00 1.00 H new ATOM 0 HG22 THR A 12 -1.803 11.488 5.169 1.00 1.00 H new ATOM 0 HG23 THR A 12 -1.059 12.161 6.639 1.00 1.00 H new ATOM 203 N GLY A 13 -0.373 13.106 4.592 1.00 1.00 N ATOM 204 CA GLY A 13 1.059 12.951 4.408 1.00 1.00 C ATOM 205 C GLY A 13 1.501 11.521 4.725 1.00 1.00 C ATOM 206 O GLY A 13 2.665 11.284 5.045 1.00 1.00 O ATOM 0 H GLY A 13 -0.935 12.333 4.236 1.00 1.00 H new ATOM 0 HA2 GLY A 13 1.326 13.199 3.381 1.00 1.00 H new ATOM 0 HA3 GLY A 13 1.590 13.651 5.053 1.00 1.00 H new ATOM 210 N ILE A 14 0.549 10.605 4.624 1.00 1.00 N ATOM 211 CA ILE A 14 0.826 9.205 4.896 1.00 1.00 C ATOM 212 C ILE A 14 1.797 9.101 6.074 1.00 1.00 C ATOM 213 O ILE A 14 2.969 8.776 5.890 1.00 1.00 O ATOM 214 CB ILE A 14 1.316 8.500 3.630 1.00 1.00 C ATOM 215 CG1 ILE A 14 0.170 8.293 2.638 1.00 1.00 C ATOM 216 CG2 ILE A 14 2.022 7.186 3.973 1.00 1.00 C ATOM 217 CD1 ILE A 14 -0.867 9.412 2.758 1.00 1.00 C ATOM 0 H ILE A 14 -0.415 10.805 4.358 1.00 1.00 H new ATOM 0 HA ILE A 14 -0.087 8.686 5.189 1.00 1.00 H new ATOM 0 HB ILE A 14 2.050 9.143 3.144 1.00 1.00 H new ATOM 0 HG12 ILE A 14 0.564 8.265 1.622 1.00 1.00 H new ATOM 0 HG13 ILE A 14 -0.306 7.330 2.822 1.00 1.00 H new ATOM 0 HG21 ILE A 14 2.361 6.705 3.056 1.00 1.00 H new ATOM 0 HG22 ILE A 14 2.880 7.390 4.614 1.00 1.00 H new ATOM 0 HG23 ILE A 14 1.329 6.526 4.495 1.00 1.00 H new ATOM 0 HD11 ILE A 14 -1.671 9.241 2.042 1.00 1.00 H new ATOM 0 HD12 ILE A 14 -1.277 9.422 3.768 1.00 1.00 H new ATOM 0 HD13 ILE A 14 -0.393 10.371 2.549 1.00 1.00 H new ATOM 229 N HIS A 15 1.273 9.382 7.258 1.00 1.00 N ATOM 230 CA HIS A 15 2.079 9.324 8.465 1.00 1.00 C ATOM 231 C HIS A 15 1.857 7.983 9.168 1.00 1.00 C ATOM 232 O HIS A 15 1.056 7.167 8.715 1.00 1.00 O ATOM 233 CB HIS A 15 1.789 10.523 9.371 1.00 1.00 C ATOM 234 CG HIS A 15 0.360 11.007 9.309 1.00 1.00 C ATOM 235 ND1 HIS A 15 -0.636 10.512 10.132 1.00 1.00 N ATOM 236 CD2 HIS A 15 -0.229 11.947 8.514 1.00 1.00 C ATOM 237 CE1 HIS A 15 -1.769 11.132 9.837 1.00 1.00 C ATOM 238 NE2 HIS A 15 -1.515 12.021 8.834 1.00 1.00 N ATOM 0 H HIS A 15 0.300 9.650 7.407 1.00 1.00 H new ATOM 0 HA HIS A 15 3.135 9.387 8.203 1.00 1.00 H new ATOM 0 HB2 HIS A 15 2.026 10.254 10.400 1.00 1.00 H new ATOM 0 HB3 HIS A 15 2.452 11.343 9.095 1.00 1.00 H new ATOM 0 HD2 HIS A 15 0.267 12.532 7.753 1.00 1.00 H new ATOM 0 HE1 HIS A 15 -2.726 10.963 10.308 1.00 1.00 H new ATOM 0 HE2 HIS A 15 -2.200 12.640 8.401 1.00 1.00 H new ATOM 246 N ALA A 16 2.579 7.798 10.262 1.00 1.00 N ATOM 247 CA ALA A 16 2.470 6.570 11.032 1.00 1.00 C ATOM 248 C ALA A 16 1.000 6.153 11.114 1.00 1.00 C ATOM 249 O ALA A 16 0.689 4.964 11.132 1.00 1.00 O ATOM 250 CB ALA A 16 3.097 6.775 12.413 1.00 1.00 C ATOM 0 H ALA A 16 3.242 8.478 10.634 1.00 1.00 H new ATOM 0 HA ALA A 16 3.015 5.762 10.544 1.00 1.00 H new ATOM 0 HB1 ALA A 16 3.015 5.854 12.990 1.00 1.00 H new ATOM 0 HB2 ALA A 16 4.148 7.040 12.300 1.00 1.00 H new ATOM 0 HB3 ALA A 16 2.575 7.577 12.934 1.00 1.00 H new ATOM 256 N ARG A 17 0.136 7.156 11.162 1.00 1.00 N ATOM 257 CA ARG A 17 -1.293 6.909 11.243 1.00 1.00 C ATOM 258 C ARG A 17 -1.792 6.254 9.953 1.00 1.00 C ATOM 259 O ARG A 17 -2.097 5.062 9.936 1.00 1.00 O ATOM 260 CB ARG A 17 -2.065 8.210 11.477 1.00 1.00 C ATOM 261 CG ARG A 17 -2.404 8.386 12.958 1.00 1.00 C ATOM 262 CD ARG A 17 -1.135 8.565 13.794 1.00 1.00 C ATOM 263 NE ARG A 17 -0.950 9.993 14.133 1.00 1.00 N ATOM 264 CZ ARG A 17 -0.278 10.430 15.207 1.00 1.00 C ATOM 265 NH1 ARG A 17 0.276 9.551 16.053 1.00 1.00 N ATOM 266 NH2 ARG A 17 -0.159 11.745 15.435 1.00 1.00 N ATOM 0 H ARG A 17 0.398 8.142 11.146 1.00 1.00 H new ATOM 0 HA ARG A 17 -1.466 6.240 12.086 1.00 1.00 H new ATOM 0 HB2 ARG A 17 -1.471 9.057 11.133 1.00 1.00 H new ATOM 0 HB3 ARG A 17 -2.982 8.204 10.888 1.00 1.00 H new ATOM 0 HG2 ARG A 17 -3.053 9.252 13.086 1.00 1.00 H new ATOM 0 HG3 ARG A 17 -2.958 7.517 13.313 1.00 1.00 H new ATOM 0 HD2 ARG A 17 -1.204 7.972 14.706 1.00 1.00 H new ATOM 0 HD3 ARG A 17 -0.270 8.199 13.240 1.00 1.00 H new ATOM 0 HE ARG A 17 -1.360 10.689 13.510 1.00 1.00 H new ATOM 0 HH11 ARG A 17 0.186 8.550 15.879 1.00 1.00 H new ATOM 0 HH12 ARG A 17 0.788 9.883 16.871 1.00 1.00 H new ATOM 0 HH21 ARG A 17 -0.580 12.414 14.791 1.00 1.00 H new ATOM 0 HH22 ARG A 17 0.353 12.077 16.253 1.00 1.00 H new ATOM 280 N PRO A 18 -1.862 7.083 8.877 1.00 1.00 N ATOM 281 CA PRO A 18 -2.318 6.596 7.586 1.00 1.00 C ATOM 282 C PRO A 18 -1.240 5.749 6.907 1.00 1.00 C ATOM 283 O PRO A 18 -1.552 4.850 6.127 1.00 1.00 O ATOM 284 CB PRO A 18 -2.674 7.846 6.798 1.00 1.00 C ATOM 285 CG PRO A 18 -1.970 8.996 7.500 1.00 1.00 C ATOM 286 CD PRO A 18 -1.509 8.499 8.861 1.00 1.00 C ATOM 0 HA PRO A 18 -3.179 5.933 7.667 1.00 1.00 H new ATOM 0 HB2 PRO A 18 -2.346 7.761 5.762 1.00 1.00 H new ATOM 0 HB3 PRO A 18 -3.753 8.002 6.779 1.00 1.00 H new ATOM 0 HG2 PRO A 18 -1.120 9.340 6.911 1.00 1.00 H new ATOM 0 HG3 PRO A 18 -2.644 9.845 7.612 1.00 1.00 H new ATOM 0 HD2 PRO A 18 -0.436 8.641 8.992 1.00 1.00 H new ATOM 0 HD3 PRO A 18 -2.003 9.040 9.668 1.00 1.00 H new ATOM 294 N ALA A 19 0.006 6.065 7.228 1.00 1.00 N ATOM 295 CA ALA A 19 1.131 5.343 6.659 1.00 1.00 C ATOM 296 C ALA A 19 1.017 3.861 7.022 1.00 1.00 C ATOM 297 O ALA A 19 1.111 2.997 6.151 1.00 1.00 O ATOM 298 CB ALA A 19 2.439 5.965 7.153 1.00 1.00 C ATOM 0 H ALA A 19 0.261 6.811 7.875 1.00 1.00 H new ATOM 0 HA ALA A 19 1.124 5.417 5.572 1.00 1.00 H new ATOM 0 HB1 ALA A 19 3.283 5.424 6.726 1.00 1.00 H new ATOM 0 HB2 ALA A 19 2.484 7.009 6.845 1.00 1.00 H new ATOM 0 HB3 ALA A 19 2.482 5.906 8.241 1.00 1.00 H new ATOM 304 N THR A 20 0.817 3.613 8.307 1.00 1.00 N ATOM 305 CA THR A 20 0.689 2.250 8.795 1.00 1.00 C ATOM 306 C THR A 20 -0.664 1.663 8.389 1.00 1.00 C ATOM 307 O THR A 20 -0.756 0.486 8.045 1.00 1.00 O ATOM 308 CB THR A 20 0.915 2.267 10.308 1.00 1.00 C ATOM 309 OG1 THR A 20 1.707 3.430 10.528 1.00 1.00 O ATOM 310 CG2 THR A 20 1.805 1.115 10.780 1.00 1.00 C ATOM 0 H THR A 20 0.740 4.332 9.026 1.00 1.00 H new ATOM 0 HA THR A 20 1.438 1.597 8.347 1.00 1.00 H new ATOM 0 HB THR A 20 -0.046 2.216 10.819 1.00 1.00 H new ATOM 0 HG1 THR A 20 1.133 4.165 10.829 1.00 1.00 H new ATOM 0 HG21 THR A 20 1.933 1.174 11.861 1.00 1.00 H new ATOM 0 HG22 THR A 20 1.338 0.165 10.521 1.00 1.00 H new ATOM 0 HG23 THR A 20 2.778 1.185 10.295 1.00 1.00 H new ATOM 318 N LEU A 21 -1.681 2.511 8.444 1.00 1.00 N ATOM 319 CA LEU A 21 -3.026 2.091 8.086 1.00 1.00 C ATOM 320 C LEU A 21 -2.961 1.178 6.860 1.00 1.00 C ATOM 321 O LEU A 21 -3.446 0.048 6.897 1.00 1.00 O ATOM 322 CB LEU A 21 -3.935 3.306 7.900 1.00 1.00 C ATOM 323 CG LEU A 21 -5.429 3.069 8.133 1.00 1.00 C ATOM 324 CD1 LEU A 21 -6.240 4.326 7.813 1.00 1.00 C ATOM 325 CD2 LEU A 21 -5.920 1.853 7.344 1.00 1.00 C ATOM 0 H LEU A 21 -1.601 3.487 8.731 1.00 1.00 H new ATOM 0 HA LEU A 21 -3.471 1.510 8.894 1.00 1.00 H new ATOM 0 HB2 LEU A 21 -3.602 4.091 8.579 1.00 1.00 H new ATOM 0 HB3 LEU A 21 -3.801 3.683 6.886 1.00 1.00 H new ATOM 0 HG LEU A 21 -5.580 2.850 9.190 1.00 1.00 H new ATOM 0 HD11 LEU A 21 -7.298 4.130 7.987 1.00 1.00 H new ATOM 0 HD12 LEU A 21 -5.912 5.144 8.455 1.00 1.00 H new ATOM 0 HD13 LEU A 21 -6.089 4.601 6.769 1.00 1.00 H new ATOM 0 HD21 LEU A 21 -6.984 1.706 7.527 1.00 1.00 H new ATOM 0 HD22 LEU A 21 -5.754 2.019 6.280 1.00 1.00 H new ATOM 0 HD23 LEU A 21 -5.372 0.967 7.663 1.00 1.00 H new ATOM 337 N LEU A 22 -2.357 1.701 5.803 1.00 1.00 N ATOM 338 CA LEU A 22 -2.223 0.948 4.569 1.00 1.00 C ATOM 339 C LEU A 22 -1.235 -0.201 4.782 1.00 1.00 C ATOM 340 O LEU A 22 -1.610 -1.370 4.707 1.00 1.00 O ATOM 341 CB LEU A 22 -1.846 1.876 3.412 1.00 1.00 C ATOM 342 CG LEU A 22 -0.640 2.787 3.649 1.00 1.00 C ATOM 343 CD1 LEU A 22 0.621 2.207 3.006 1.00 1.00 C ATOM 344 CD2 LEU A 22 -0.925 4.211 3.168 1.00 1.00 C ATOM 0 H LEU A 22 -1.955 2.638 5.776 1.00 1.00 H new ATOM 0 HA LEU A 22 -3.178 0.501 4.291 1.00 1.00 H new ATOM 0 HB2 LEU A 22 -1.647 1.265 2.532 1.00 1.00 H new ATOM 0 HB3 LEU A 22 -2.708 2.501 3.178 1.00 1.00 H new ATOM 0 HG LEU A 22 -0.459 2.840 4.723 1.00 1.00 H new ATOM 0 HD11 LEU A 22 1.463 2.874 3.190 1.00 1.00 H new ATOM 0 HD12 LEU A 22 0.833 1.229 3.438 1.00 1.00 H new ATOM 0 HD13 LEU A 22 0.467 2.104 1.932 1.00 1.00 H new ATOM 0 HD21 LEU A 22 -0.052 4.838 3.348 1.00 1.00 H new ATOM 0 HD22 LEU A 22 -1.148 4.197 2.101 1.00 1.00 H new ATOM 0 HD23 LEU A 22 -1.779 4.614 3.712 1.00 1.00 H new ATOM 356 N VAL A 23 0.009 0.173 5.044 1.00 1.00 N ATOM 357 CA VAL A 23 1.054 -0.812 5.269 1.00 1.00 C ATOM 358 C VAL A 23 0.542 -1.881 6.235 1.00 1.00 C ATOM 359 O VAL A 23 0.637 -3.075 5.953 1.00 1.00 O ATOM 360 CB VAL A 23 2.327 -0.120 5.762 1.00 1.00 C ATOM 361 CG1 VAL A 23 2.023 0.818 6.932 1.00 1.00 C ATOM 362 CG2 VAL A 23 3.395 -1.146 6.146 1.00 1.00 C ATOM 0 H VAL A 23 0.317 1.144 5.105 1.00 1.00 H new ATOM 0 HA VAL A 23 1.313 -1.314 4.337 1.00 1.00 H new ATOM 0 HB VAL A 23 2.720 0.482 4.943 1.00 1.00 H new ATOM 0 HG11 VAL A 23 2.944 1.297 7.263 1.00 1.00 H new ATOM 0 HG12 VAL A 23 1.313 1.580 6.612 1.00 1.00 H new ATOM 0 HG13 VAL A 23 1.595 0.246 7.755 1.00 1.00 H new ATOM 0 HG21 VAL A 23 4.289 -0.628 6.493 1.00 1.00 H new ATOM 0 HG22 VAL A 23 3.015 -1.786 6.942 1.00 1.00 H new ATOM 0 HG23 VAL A 23 3.643 -1.756 5.277 1.00 1.00 H new ATOM 372 N GLN A 24 0.011 -1.415 7.356 1.00 1.00 N ATOM 373 CA GLN A 24 -0.517 -2.317 8.366 1.00 1.00 C ATOM 374 C GLN A 24 -1.513 -3.293 7.738 1.00 1.00 C ATOM 375 O GLN A 24 -1.548 -4.468 8.099 1.00 1.00 O ATOM 376 CB GLN A 24 -1.162 -1.538 9.514 1.00 1.00 C ATOM 377 CG GLN A 24 -2.542 -1.013 9.112 1.00 1.00 C ATOM 378 CD GLN A 24 -3.529 -1.121 10.276 1.00 1.00 C ATOM 379 OE1 GLN A 24 -4.564 -1.762 10.188 1.00 1.00 O ATOM 380 NE2 GLN A 24 -3.154 -0.461 11.368 1.00 1.00 N ATOM 0 H GLN A 24 -0.065 -0.424 7.587 1.00 1.00 H new ATOM 0 HA GLN A 24 0.312 -2.891 8.781 1.00 1.00 H new ATOM 0 HB2 GLN A 24 -1.254 -2.182 10.389 1.00 1.00 H new ATOM 0 HB3 GLN A 24 -0.520 -0.704 9.798 1.00 1.00 H new ATOM 0 HG2 GLN A 24 -2.461 0.026 8.794 1.00 1.00 H new ATOM 0 HG3 GLN A 24 -2.916 -1.579 8.259 1.00 1.00 H new ATOM 0 HE21 GLN A 24 -2.275 0.056 11.375 1.00 1.00 H new ATOM 0 HE22 GLN A 24 -3.746 -0.472 12.199 1.00 1.00 H new ATOM 389 N THR A 25 -2.299 -2.770 6.808 1.00 1.00 N ATOM 390 CA THR A 25 -3.293 -3.581 6.126 1.00 1.00 C ATOM 391 C THR A 25 -2.656 -4.334 4.957 1.00 1.00 C ATOM 392 O THR A 25 -3.109 -5.419 4.592 1.00 1.00 O ATOM 393 CB THR A 25 -4.442 -2.663 5.703 1.00 1.00 C ATOM 394 OG1 THR A 25 -5.480 -2.955 6.635 1.00 1.00 O ATOM 395 CG2 THR A 25 -5.036 -3.054 4.348 1.00 1.00 C ATOM 0 H THR A 25 -2.267 -1.795 6.511 1.00 1.00 H new ATOM 0 HA THR A 25 -3.697 -4.349 6.785 1.00 1.00 H new ATOM 0 HB THR A 25 -4.087 -1.633 5.659 1.00 1.00 H new ATOM 0 HG1 THR A 25 -6.264 -2.402 6.435 1.00 1.00 H new ATOM 0 HG21 THR A 25 -5.847 -2.371 4.096 1.00 1.00 H new ATOM 0 HG22 THR A 25 -4.263 -2.998 3.582 1.00 1.00 H new ATOM 0 HG23 THR A 25 -5.422 -4.072 4.400 1.00 1.00 H new ATOM 403 N ALA A 26 -1.616 -3.730 4.401 1.00 1.00 N ATOM 404 CA ALA A 26 -0.913 -4.331 3.281 1.00 1.00 C ATOM 405 C ALA A 26 0.125 -5.323 3.809 1.00 1.00 C ATOM 406 O ALA A 26 0.372 -6.357 3.189 1.00 1.00 O ATOM 407 CB ALA A 26 -0.283 -3.230 2.424 1.00 1.00 C ATOM 0 H ALA A 26 -1.243 -2.831 4.705 1.00 1.00 H new ATOM 0 HA ALA A 26 -1.605 -4.884 2.646 1.00 1.00 H new ATOM 0 HB1 ALA A 26 0.245 -3.680 1.583 1.00 1.00 H new ATOM 0 HB2 ALA A 26 -1.064 -2.568 2.050 1.00 1.00 H new ATOM 0 HB3 ALA A 26 0.420 -2.656 3.028 1.00 1.00 H new ATOM 413 N SER A 27 0.705 -4.974 4.948 1.00 1.00 N ATOM 414 CA SER A 27 1.711 -5.822 5.566 1.00 1.00 C ATOM 415 C SER A 27 1.048 -6.787 6.551 1.00 1.00 C ATOM 416 O SER A 27 1.536 -6.976 7.664 1.00 1.00 O ATOM 417 CB SER A 27 2.774 -4.984 6.278 1.00 1.00 C ATOM 418 OG SER A 27 4.049 -5.623 6.272 1.00 1.00 O ATOM 0 H SER A 27 0.498 -4.116 5.459 1.00 1.00 H new ATOM 0 HA SER A 27 2.204 -6.396 4.782 1.00 1.00 H new ATOM 0 HB2 SER A 27 2.854 -4.011 5.793 1.00 1.00 H new ATOM 0 HB3 SER A 27 2.464 -4.803 7.307 1.00 1.00 H new ATOM 0 HG SER A 27 3.988 -6.480 6.743 1.00 1.00 H new ATOM 424 N LYS A 28 -0.055 -7.371 6.106 1.00 1.00 N ATOM 425 CA LYS A 28 -0.790 -8.312 6.934 1.00 1.00 C ATOM 426 C LYS A 28 -1.485 -9.339 6.038 1.00 1.00 C ATOM 427 O LYS A 28 -2.473 -9.951 6.441 1.00 1.00 O ATOM 428 CB LYS A 28 -1.743 -7.569 7.873 1.00 1.00 C ATOM 429 CG LYS A 28 -2.624 -6.589 7.095 1.00 1.00 C ATOM 430 CD LYS A 28 -3.765 -7.321 6.387 1.00 1.00 C ATOM 431 CE LYS A 28 -4.761 -7.893 7.398 1.00 1.00 C ATOM 432 NZ LYS A 28 -4.636 -9.366 7.473 1.00 1.00 N ATOM 0 H LYS A 28 -0.457 -7.211 5.183 1.00 1.00 H new ATOM 0 HA LYS A 28 -0.108 -8.863 7.581 1.00 1.00 H new ATOM 0 HB2 LYS A 28 -2.370 -8.286 8.403 1.00 1.00 H new ATOM 0 HB3 LYS A 28 -1.170 -7.029 8.627 1.00 1.00 H new ATOM 0 HG2 LYS A 28 -3.033 -5.843 7.776 1.00 1.00 H new ATOM 0 HG3 LYS A 28 -2.020 -6.054 6.362 1.00 1.00 H new ATOM 0 HD2 LYS A 28 -4.279 -6.635 5.713 1.00 1.00 H new ATOM 0 HD3 LYS A 28 -3.360 -8.127 5.774 1.00 1.00 H new ATOM 0 HE2 LYS A 28 -4.582 -7.457 8.381 1.00 1.00 H new ATOM 0 HE3 LYS A 28 -5.777 -7.623 7.109 1.00 1.00 H new ATOM 0 HZ1 LYS A 28 -4.857 -9.684 8.438 1.00 1.00 H new ATOM 0 HZ2 LYS A 28 -5.300 -9.805 6.803 1.00 1.00 H new ATOM 0 HZ3 LYS A 28 -3.664 -9.645 7.230 1.00 1.00 H new ATOM 446 N PHE A 29 -0.942 -9.495 4.840 1.00 1.00 N ATOM 447 CA PHE A 29 -1.499 -10.438 3.884 1.00 1.00 C ATOM 448 C PHE A 29 -0.472 -11.508 3.508 1.00 1.00 C ATOM 449 O PHE A 29 0.703 -11.204 3.309 1.00 1.00 O ATOM 450 CB PHE A 29 -1.867 -9.639 2.632 1.00 1.00 C ATOM 451 CG PHE A 29 -2.904 -8.542 2.876 1.00 1.00 C ATOM 452 CD1 PHE A 29 -3.924 -8.753 3.750 1.00 1.00 C ATOM 453 CD2 PHE A 29 -2.806 -7.355 2.219 1.00 1.00 C ATOM 454 CE1 PHE A 29 -4.887 -7.734 3.977 1.00 1.00 C ATOM 455 CE2 PHE A 29 -3.769 -6.336 2.445 1.00 1.00 C ATOM 456 CZ PHE A 29 -4.789 -6.547 3.320 1.00 1.00 C ATOM 0 H PHE A 29 -0.123 -8.985 4.509 1.00 1.00 H new ATOM 0 HA PHE A 29 -2.365 -10.940 4.316 1.00 1.00 H new ATOM 0 HB2 PHE A 29 -0.963 -9.186 2.224 1.00 1.00 H new ATOM 0 HB3 PHE A 29 -2.249 -10.324 1.876 1.00 1.00 H new ATOM 0 HD1 PHE A 29 -4.002 -9.695 4.272 1.00 1.00 H new ATOM 0 HD2 PHE A 29 -1.995 -7.187 1.525 1.00 1.00 H new ATOM 0 HE1 PHE A 29 -5.697 -7.902 4.671 1.00 1.00 H new ATOM 0 HE2 PHE A 29 -3.692 -5.394 1.922 1.00 1.00 H new ATOM 0 HZ PHE A 29 -5.521 -5.772 3.493 1.00 1.00 H new ATOM 466 N ASN A 30 -0.953 -12.740 3.423 1.00 1.00 N ATOM 467 CA ASN A 30 -0.092 -13.857 3.075 1.00 1.00 C ATOM 468 C ASN A 30 0.349 -13.720 1.617 1.00 1.00 C ATOM 469 O ASN A 30 1.156 -14.512 1.132 1.00 1.00 O ATOM 470 CB ASN A 30 -0.831 -15.189 3.223 1.00 1.00 C ATOM 471 CG ASN A 30 -0.607 -15.789 4.612 1.00 1.00 C ATOM 472 OD1 ASN A 30 0.388 -15.539 5.272 1.00 1.00 O ATOM 473 ND2 ASN A 30 -1.585 -16.594 5.017 1.00 1.00 N ATOM 0 H ASN A 30 -1.928 -12.989 3.589 1.00 1.00 H new ATOM 0 HA ASN A 30 0.766 -13.844 3.747 1.00 1.00 H new ATOM 0 HB2 ASN A 30 -1.897 -15.038 3.056 1.00 1.00 H new ATOM 0 HB3 ASN A 30 -0.485 -15.888 2.461 1.00 1.00 H new ATOM 0 HD21 ASN A 30 -1.529 -17.045 5.930 1.00 1.00 H new ATOM 0 HD22 ASN A 30 -2.391 -16.760 4.414 1.00 1.00 H new ATOM 480 N SER A 31 -0.200 -12.710 0.958 1.00 1.00 N ATOM 481 CA SER A 31 0.127 -12.460 -0.436 1.00 1.00 C ATOM 482 C SER A 31 1.196 -11.370 -0.534 1.00 1.00 C ATOM 483 O SER A 31 1.623 -10.821 0.480 1.00 1.00 O ATOM 484 CB SER A 31 -1.117 -12.057 -1.229 1.00 1.00 C ATOM 485 OG SER A 31 -1.893 -13.187 -1.617 1.00 1.00 O ATOM 0 H SER A 31 -0.869 -12.055 1.363 1.00 1.00 H new ATOM 0 HA SER A 31 0.516 -13.382 -0.868 1.00 1.00 H new ATOM 0 HB2 SER A 31 -1.730 -11.387 -0.626 1.00 1.00 H new ATOM 0 HB3 SER A 31 -0.816 -11.502 -2.117 1.00 1.00 H new ATOM 0 HG SER A 31 -1.536 -13.992 -1.187 1.00 1.00 H new ATOM 491 N ASP A 32 1.598 -11.089 -1.765 1.00 1.00 N ATOM 492 CA ASP A 32 2.609 -10.075 -2.010 1.00 1.00 C ATOM 493 C ASP A 32 1.923 -8.738 -2.304 1.00 1.00 C ATOM 494 O ASP A 32 1.551 -8.466 -3.445 1.00 1.00 O ATOM 495 CB ASP A 32 3.474 -10.439 -3.218 1.00 1.00 C ATOM 496 CG ASP A 32 4.901 -10.875 -2.883 1.00 1.00 C ATOM 497 OD1 ASP A 32 5.089 -11.389 -1.758 1.00 1.00 O ATOM 498 OD2 ASP A 32 5.773 -10.686 -3.759 1.00 1.00 O ATOM 0 H ASP A 32 1.241 -11.547 -2.604 1.00 1.00 H new ATOM 0 HA ASP A 32 3.240 -10.007 -1.124 1.00 1.00 H new ATOM 0 HB2 ASP A 32 2.984 -11.243 -3.768 1.00 1.00 H new ATOM 0 HB3 ASP A 32 3.520 -9.578 -3.885 1.00 1.00 H new ATOM 503 N ILE A 33 1.778 -7.941 -1.257 1.00 1.00 N ATOM 504 CA ILE A 33 1.144 -6.640 -1.389 1.00 1.00 C ATOM 505 C ILE A 33 2.147 -5.548 -1.013 1.00 1.00 C ATOM 506 O ILE A 33 2.746 -5.593 0.061 1.00 1.00 O ATOM 507 CB ILE A 33 -0.152 -6.590 -0.576 1.00 1.00 C ATOM 508 CG1 ILE A 33 -1.046 -5.439 -1.041 1.00 1.00 C ATOM 509 CG2 ILE A 33 0.144 -6.518 0.923 1.00 1.00 C ATOM 510 CD1 ILE A 33 -0.765 -4.168 -0.238 1.00 1.00 C ATOM 0 H ILE A 33 2.089 -8.170 -0.313 1.00 1.00 H new ATOM 0 HA ILE A 33 0.851 -6.463 -2.424 1.00 1.00 H new ATOM 0 HB ILE A 33 -0.702 -7.515 -0.751 1.00 1.00 H new ATOM 0 HG12 ILE A 33 -0.878 -5.248 -2.101 1.00 1.00 H new ATOM 0 HG13 ILE A 33 -2.093 -5.720 -0.930 1.00 1.00 H new ATOM 0 HG21 ILE A 33 -0.794 -6.483 1.478 1.00 1.00 H new ATOM 0 HG22 ILE A 33 0.712 -7.398 1.224 1.00 1.00 H new ATOM 0 HG23 ILE A 33 0.725 -5.621 1.136 1.00 1.00 H new ATOM 0 HD11 ILE A 33 -1.414 -3.365 -0.589 1.00 1.00 H new ATOM 0 HD12 ILE A 33 -0.958 -4.355 0.818 1.00 1.00 H new ATOM 0 HD13 ILE A 33 0.277 -3.877 -0.371 1.00 1.00 H new ATOM 522 N ASN A 34 2.301 -4.593 -1.919 1.00 1.00 N ATOM 523 CA ASN A 34 3.221 -3.491 -1.696 1.00 1.00 C ATOM 524 C ASN A 34 2.591 -2.194 -2.206 1.00 1.00 C ATOM 525 O ASN A 34 1.499 -2.211 -2.772 1.00 1.00 O ATOM 526 CB ASN A 34 4.534 -3.709 -2.452 1.00 1.00 C ATOM 527 CG ASN A 34 5.115 -5.092 -2.154 1.00 1.00 C ATOM 528 OD1 ASN A 34 4.709 -5.779 -1.232 1.00 1.00 O ATOM 529 ND2 ASN A 34 6.087 -5.460 -2.984 1.00 1.00 N ATOM 0 H ASN A 34 1.804 -4.560 -2.809 1.00 1.00 H new ATOM 0 HA ASN A 34 3.425 -3.433 -0.627 1.00 1.00 H new ATOM 0 HB2 ASN A 34 4.362 -3.606 -3.523 1.00 1.00 H new ATOM 0 HB3 ASN A 34 5.253 -2.940 -2.169 1.00 1.00 H new ATOM 0 HD21 ASN A 34 6.540 -6.366 -2.868 1.00 1.00 H new ATOM 0 HD22 ASN A 34 6.379 -4.836 -3.736 1.00 1.00 H new ATOM 536 N LEU A 35 3.306 -1.100 -1.988 1.00 1.00 N ATOM 537 CA LEU A 35 2.830 0.203 -2.419 1.00 1.00 C ATOM 538 C LEU A 35 3.827 0.803 -3.412 1.00 1.00 C ATOM 539 O LEU A 35 5.038 0.660 -3.245 1.00 1.00 O ATOM 540 CB LEU A 35 2.553 1.099 -1.210 1.00 1.00 C ATOM 541 CG LEU A 35 3.552 2.233 -0.972 1.00 1.00 C ATOM 542 CD1 LEU A 35 3.589 3.190 -2.166 1.00 1.00 C ATOM 543 CD2 LEU A 35 3.251 2.964 0.338 1.00 1.00 C ATOM 0 H LEU A 35 4.211 -1.089 -1.518 1.00 1.00 H new ATOM 0 HA LEU A 35 1.878 0.107 -2.941 1.00 1.00 H new ATOM 0 HB2 LEU A 35 1.560 1.534 -1.325 1.00 1.00 H new ATOM 0 HB3 LEU A 35 2.525 0.473 -0.318 1.00 1.00 H new ATOM 0 HG LEU A 35 4.546 1.797 -0.876 1.00 1.00 H new ATOM 0 HD11 LEU A 35 4.307 3.987 -1.971 1.00 1.00 H new ATOM 0 HD12 LEU A 35 3.887 2.644 -3.061 1.00 1.00 H new ATOM 0 HD13 LEU A 35 2.600 3.622 -2.317 1.00 1.00 H new ATOM 0 HD21 LEU A 35 3.976 3.765 0.483 1.00 1.00 H new ATOM 0 HD22 LEU A 35 2.247 3.386 0.297 1.00 1.00 H new ATOM 0 HD23 LEU A 35 3.315 2.262 1.169 1.00 1.00 H new ATOM 555 N GLU A 36 3.282 1.461 -4.425 1.00 1.00 N ATOM 556 CA GLU A 36 4.109 2.082 -5.445 1.00 1.00 C ATOM 557 C GLU A 36 3.723 3.553 -5.618 1.00 1.00 C ATOM 558 O GLU A 36 2.602 3.861 -6.019 1.00 1.00 O ATOM 559 CB GLU A 36 4.002 1.328 -6.772 1.00 1.00 C ATOM 560 CG GLU A 36 4.883 1.974 -7.843 1.00 1.00 C ATOM 561 CD GLU A 36 4.889 1.140 -9.125 1.00 1.00 C ATOM 562 OE1 GLU A 36 3.778 0.786 -9.577 1.00 1.00 O ATOM 563 OE2 GLU A 36 6.003 0.875 -9.625 1.00 1.00 O ATOM 0 H GLU A 36 2.278 1.577 -4.561 1.00 1.00 H new ATOM 0 HA GLU A 36 5.149 2.035 -5.121 1.00 1.00 H new ATOM 0 HB2 GLU A 36 4.300 0.289 -6.629 1.00 1.00 H new ATOM 0 HB3 GLU A 36 2.965 1.319 -7.106 1.00 1.00 H new ATOM 0 HG2 GLU A 36 4.520 2.978 -8.060 1.00 1.00 H new ATOM 0 HG3 GLU A 36 5.901 2.077 -7.468 1.00 1.00 H new ATOM 570 N TYR A 37 4.674 4.421 -5.305 1.00 1.00 N ATOM 571 CA TYR A 37 4.448 5.852 -5.421 1.00 1.00 C ATOM 572 C TYR A 37 5.490 6.500 -6.335 1.00 1.00 C ATOM 573 O TYR A 37 6.690 6.384 -6.094 1.00 1.00 O ATOM 574 CB TYR A 37 4.604 6.419 -4.008 1.00 1.00 C ATOM 575 CG TYR A 37 4.601 7.948 -3.947 1.00 1.00 C ATOM 576 CD1 TYR A 37 4.022 8.677 -4.965 1.00 1.00 C ATOM 577 CD2 TYR A 37 5.176 8.597 -2.874 1.00 1.00 C ATOM 578 CE1 TYR A 37 4.019 10.116 -4.908 1.00 1.00 C ATOM 579 CE2 TYR A 37 5.173 10.035 -2.816 1.00 1.00 C ATOM 580 CZ TYR A 37 4.595 10.724 -3.836 1.00 1.00 C ATOM 581 OH TYR A 37 4.592 12.083 -3.782 1.00 1.00 O ATOM 0 H TYR A 37 5.602 4.161 -4.971 1.00 1.00 H new ATOM 0 HA TYR A 37 3.464 6.052 -5.846 1.00 1.00 H new ATOM 0 HB2 TYR A 37 3.795 6.039 -3.384 1.00 1.00 H new ATOM 0 HB3 TYR A 37 5.536 6.050 -3.581 1.00 1.00 H new ATOM 0 HD1 TYR A 37 3.571 8.169 -5.804 1.00 1.00 H new ATOM 0 HD2 TYR A 37 5.629 8.026 -2.077 1.00 1.00 H new ATOM 0 HE1 TYR A 37 3.570 10.699 -5.698 1.00 1.00 H new ATOM 0 HE2 TYR A 37 5.620 10.555 -1.981 1.00 1.00 H new ATOM 0 HH TYR A 37 5.036 12.379 -2.960 1.00 1.00 H new ATOM 591 N LYS A 38 4.992 7.167 -7.366 1.00 1.00 N ATOM 592 CA LYS A 38 5.864 7.833 -8.318 1.00 1.00 C ATOM 593 C LYS A 38 6.573 6.783 -9.175 1.00 1.00 C ATOM 594 O LYS A 38 7.354 7.124 -10.062 1.00 1.00 O ATOM 595 CB LYS A 38 6.820 8.784 -7.594 1.00 1.00 C ATOM 596 CG LYS A 38 6.050 9.778 -6.723 1.00 1.00 C ATOM 597 CD LYS A 38 6.627 11.188 -6.859 1.00 1.00 C ATOM 598 CE LYS A 38 7.936 11.323 -6.078 1.00 1.00 C ATOM 599 NZ LYS A 38 8.282 12.749 -5.888 1.00 1.00 N ATOM 0 H LYS A 38 3.996 7.260 -7.563 1.00 1.00 H new ATOM 0 HA LYS A 38 5.282 8.458 -8.996 1.00 1.00 H new ATOM 0 HB2 LYS A 38 7.509 8.210 -6.975 1.00 1.00 H new ATOM 0 HB3 LYS A 38 7.422 9.325 -8.324 1.00 1.00 H new ATOM 0 HG2 LYS A 38 4.999 9.782 -7.012 1.00 1.00 H new ATOM 0 HG3 LYS A 38 6.093 9.463 -5.680 1.00 1.00 H new ATOM 0 HD2 LYS A 38 6.802 11.413 -7.911 1.00 1.00 H new ATOM 0 HD3 LYS A 38 5.904 11.917 -6.493 1.00 1.00 H new ATOM 0 HE2 LYS A 38 7.840 10.834 -5.109 1.00 1.00 H new ATOM 0 HE3 LYS A 38 8.739 10.816 -6.613 1.00 1.00 H new ATOM 0 HZ1 LYS A 38 9.173 12.822 -5.356 1.00 1.00 H new ATOM 0 HZ2 LYS A 38 8.394 13.206 -6.816 1.00 1.00 H new ATOM 0 HZ3 LYS A 38 7.523 13.223 -5.358 1.00 1.00 H new ATOM 613 N GLY A 39 6.276 5.526 -8.880 1.00 1.00 N ATOM 614 CA GLY A 39 6.876 4.424 -9.612 1.00 1.00 C ATOM 615 C GLY A 39 7.638 3.489 -8.670 1.00 1.00 C ATOM 616 O GLY A 39 7.998 2.376 -9.051 1.00 1.00 O ATOM 0 H GLY A 39 5.628 5.246 -8.144 1.00 1.00 H new ATOM 0 HA2 GLY A 39 6.100 3.865 -10.135 1.00 1.00 H new ATOM 0 HA3 GLY A 39 7.555 4.814 -10.371 1.00 1.00 H new ATOM 620 N LYS A 40 7.861 3.976 -7.459 1.00 1.00 N ATOM 621 CA LYS A 40 8.574 3.199 -6.459 1.00 1.00 C ATOM 622 C LYS A 40 7.603 2.224 -5.791 1.00 1.00 C ATOM 623 O LYS A 40 6.778 2.627 -4.973 1.00 1.00 O ATOM 624 CB LYS A 40 9.294 4.123 -5.475 1.00 1.00 C ATOM 625 CG LYS A 40 10.731 3.655 -5.234 1.00 1.00 C ATOM 626 CD LYS A 40 10.783 2.588 -4.138 1.00 1.00 C ATOM 627 CE LYS A 40 10.027 3.047 -2.889 1.00 1.00 C ATOM 628 NZ LYS A 40 10.259 4.488 -2.644 1.00 1.00 N ATOM 0 H LYS A 40 7.561 4.899 -7.147 1.00 1.00 H new ATOM 0 HA LYS A 40 9.356 2.601 -6.927 1.00 1.00 H new ATOM 0 HB2 LYS A 40 9.300 5.141 -5.864 1.00 1.00 H new ATOM 0 HB3 LYS A 40 8.752 4.146 -4.530 1.00 1.00 H new ATOM 0 HG2 LYS A 40 11.146 3.253 -6.158 1.00 1.00 H new ATOM 0 HG3 LYS A 40 11.351 4.505 -4.949 1.00 1.00 H new ATOM 0 HD2 LYS A 40 10.350 1.659 -4.509 1.00 1.00 H new ATOM 0 HD3 LYS A 40 11.821 2.375 -3.882 1.00 1.00 H new ATOM 0 HE2 LYS A 40 8.960 2.860 -3.013 1.00 1.00 H new ATOM 0 HE3 LYS A 40 10.354 2.468 -2.025 1.00 1.00 H new ATOM 0 HZ1 LYS A 40 10.040 4.711 -1.652 1.00 1.00 H new ATOM 0 HZ2 LYS A 40 11.254 4.718 -2.839 1.00 1.00 H new ATOM 0 HZ3 LYS A 40 9.645 5.049 -3.268 1.00 1.00 H new ATOM 642 N SER A 41 7.735 0.959 -6.162 1.00 1.00 N ATOM 643 CA SER A 41 6.880 -0.077 -5.609 1.00 1.00 C ATOM 644 C SER A 41 7.684 -0.965 -4.656 1.00 1.00 C ATOM 645 O SER A 41 8.572 -1.699 -5.088 1.00 1.00 O ATOM 646 CB SER A 41 6.249 -0.922 -6.717 1.00 1.00 C ATOM 647 OG SER A 41 7.133 -1.939 -7.182 1.00 1.00 O ATOM 0 H SER A 41 8.422 0.628 -6.839 1.00 1.00 H new ATOM 0 HA SER A 41 6.074 0.405 -5.055 1.00 1.00 H new ATOM 0 HB2 SER A 41 5.332 -1.380 -6.346 1.00 1.00 H new ATOM 0 HB3 SER A 41 5.968 -0.277 -7.550 1.00 1.00 H new ATOM 0 HG SER A 41 8.008 -1.832 -6.754 1.00 1.00 H new ATOM 653 N VAL A 42 7.343 -0.869 -3.380 1.00 1.00 N ATOM 654 CA VAL A 42 8.021 -1.655 -2.363 1.00 1.00 C ATOM 655 C VAL A 42 7.024 -2.032 -1.266 1.00 1.00 C ATOM 656 O VAL A 42 6.096 -1.277 -0.980 1.00 1.00 O ATOM 657 CB VAL A 42 9.234 -0.888 -1.831 1.00 1.00 C ATOM 658 CG1 VAL A 42 9.984 -0.192 -2.969 1.00 1.00 C ATOM 659 CG2 VAL A 42 8.818 0.116 -0.754 1.00 1.00 C ATOM 0 H VAL A 42 6.606 -0.259 -3.027 1.00 1.00 H new ATOM 0 HA VAL A 42 8.401 -2.583 -2.789 1.00 1.00 H new ATOM 0 HB VAL A 42 9.912 -1.608 -1.374 1.00 1.00 H new ATOM 0 HG11 VAL A 42 10.841 0.346 -2.564 1.00 1.00 H new ATOM 0 HG12 VAL A 42 10.328 -0.937 -3.687 1.00 1.00 H new ATOM 0 HG13 VAL A 42 9.317 0.511 -3.468 1.00 1.00 H new ATOM 0 HG21 VAL A 42 9.698 0.648 -0.393 1.00 1.00 H new ATOM 0 HG22 VAL A 42 8.111 0.830 -1.176 1.00 1.00 H new ATOM 0 HG23 VAL A 42 8.348 -0.413 0.075 1.00 1.00 H new ATOM 669 N ASN A 43 7.250 -3.199 -0.681 1.00 1.00 N ATOM 670 CA ASN A 43 6.382 -3.685 0.379 1.00 1.00 C ATOM 671 C ASN A 43 6.088 -2.544 1.354 1.00 1.00 C ATOM 672 O ASN A 43 6.752 -2.413 2.381 1.00 1.00 O ATOM 673 CB ASN A 43 7.051 -4.817 1.162 1.00 1.00 C ATOM 674 CG ASN A 43 7.796 -5.768 0.224 1.00 1.00 C ATOM 675 OD1 ASN A 43 8.728 -5.394 -0.469 1.00 1.00 O ATOM 676 ND2 ASN A 43 7.335 -7.015 0.240 1.00 1.00 N ATOM 0 H ASN A 43 8.021 -3.822 -0.921 1.00 1.00 H new ATOM 0 HA ASN A 43 5.465 -4.056 -0.078 1.00 1.00 H new ATOM 0 HB2 ASN A 43 7.747 -4.399 1.889 1.00 1.00 H new ATOM 0 HB3 ASN A 43 6.298 -5.370 1.723 1.00 1.00 H new ATOM 0 HD21 ASN A 43 7.765 -7.726 -0.352 1.00 1.00 H new ATOM 0 HD22 ASN A 43 6.551 -7.261 0.844 1.00 1.00 H new ATOM 683 N LEU A 44 5.091 -1.747 0.999 1.00 1.00 N ATOM 684 CA LEU A 44 4.700 -0.622 1.830 1.00 1.00 C ATOM 685 C LEU A 44 5.389 -0.735 3.191 1.00 1.00 C ATOM 686 O LEU A 44 5.859 0.262 3.738 1.00 1.00 O ATOM 687 CB LEU A 44 3.175 -0.525 1.920 1.00 1.00 C ATOM 688 CG LEU A 44 2.389 -1.496 1.036 1.00 1.00 C ATOM 689 CD1 LEU A 44 2.563 -2.938 1.518 1.00 1.00 C ATOM 690 CD2 LEU A 44 0.915 -1.093 0.955 1.00 1.00 C ATOM 0 H LEU A 44 4.542 -1.858 0.147 1.00 1.00 H new ATOM 0 HA LEU A 44 5.030 0.315 1.381 1.00 1.00 H new ATOM 0 HB2 LEU A 44 2.881 -0.689 2.957 1.00 1.00 H new ATOM 0 HB3 LEU A 44 2.879 0.492 1.661 1.00 1.00 H new ATOM 0 HG LEU A 44 2.793 -1.443 0.025 1.00 1.00 H new ATOM 0 HD11 LEU A 44 1.995 -3.608 0.873 1.00 1.00 H new ATOM 0 HD12 LEU A 44 3.618 -3.209 1.482 1.00 1.00 H new ATOM 0 HD13 LEU A 44 2.200 -3.026 2.542 1.00 1.00 H new ATOM 0 HD21 LEU A 44 0.379 -1.799 0.321 1.00 1.00 H new ATOM 0 HD22 LEU A 44 0.480 -1.100 1.955 1.00 1.00 H new ATOM 0 HD23 LEU A 44 0.834 -0.092 0.532 1.00 1.00 H new ATOM 702 N LYS A 45 5.428 -1.957 3.700 1.00 1.00 N ATOM 703 CA LYS A 45 6.053 -2.214 4.986 1.00 1.00 C ATOM 704 C LYS A 45 7.547 -1.897 4.895 1.00 1.00 C ATOM 705 O LYS A 45 8.269 -2.006 5.885 1.00 1.00 O ATOM 706 CB LYS A 45 5.753 -3.640 5.453 1.00 1.00 C ATOM 707 CG LYS A 45 5.676 -3.713 6.979 1.00 1.00 C ATOM 708 CD LYS A 45 6.317 -5.001 7.500 1.00 1.00 C ATOM 709 CE LYS A 45 7.813 -4.806 7.754 1.00 1.00 C ATOM 710 NZ LYS A 45 8.601 -5.812 7.008 1.00 1.00 N ATOM 0 H LYS A 45 5.036 -2.781 3.244 1.00 1.00 H new ATOM 0 HA LYS A 45 5.634 -1.559 5.750 1.00 1.00 H new ATOM 0 HB2 LYS A 45 4.811 -3.977 5.021 1.00 1.00 H new ATOM 0 HB3 LYS A 45 6.529 -4.315 5.092 1.00 1.00 H new ATOM 0 HG2 LYS A 45 6.180 -2.850 7.414 1.00 1.00 H new ATOM 0 HG3 LYS A 45 4.634 -3.667 7.297 1.00 1.00 H new ATOM 0 HD2 LYS A 45 5.825 -5.309 8.423 1.00 1.00 H new ATOM 0 HD3 LYS A 45 6.169 -5.803 6.777 1.00 1.00 H new ATOM 0 HE2 LYS A 45 8.112 -3.803 7.450 1.00 1.00 H new ATOM 0 HE3 LYS A 45 8.021 -4.891 8.821 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 9.614 -5.665 7.192 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 8.328 -6.766 7.318 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 8.416 -5.712 5.989 1.00 1.00 H new ATOM 724 N SER A 46 7.966 -1.513 3.699 1.00 1.00 N ATOM 725 CA SER A 46 9.361 -1.180 3.466 1.00 1.00 C ATOM 726 C SER A 46 9.605 0.298 3.776 1.00 1.00 C ATOM 727 O SER A 46 9.813 1.101 2.867 1.00 1.00 O ATOM 728 CB SER A 46 9.769 -1.494 2.025 1.00 1.00 C ATOM 729 OG SER A 46 11.179 -1.410 1.839 1.00 1.00 O ATOM 0 H SER A 46 7.364 -1.425 2.880 1.00 1.00 H new ATOM 0 HA SER A 46 9.974 -1.790 4.130 1.00 1.00 H new ATOM 0 HB2 SER A 46 9.428 -2.495 1.762 1.00 1.00 H new ATOM 0 HB3 SER A 46 9.272 -0.799 1.348 1.00 1.00 H new ATOM 0 HG SER A 46 11.415 -1.770 0.959 1.00 1.00 H new ATOM 735 N ILE A 47 9.573 0.613 5.062 1.00 1.00 N ATOM 736 CA ILE A 47 9.788 1.980 5.504 1.00 1.00 C ATOM 737 C ILE A 47 10.907 2.610 4.671 1.00 1.00 C ATOM 738 O ILE A 47 10.735 3.692 4.112 1.00 1.00 O ATOM 739 CB ILE A 47 10.046 2.023 7.011 1.00 1.00 C ATOM 740 CG1 ILE A 47 9.169 3.078 7.688 1.00 1.00 C ATOM 741 CG2 ILE A 47 11.531 2.235 7.308 1.00 1.00 C ATOM 742 CD1 ILE A 47 7.693 2.866 7.346 1.00 1.00 C ATOM 0 H ILE A 47 9.401 -0.056 5.813 1.00 1.00 H new ATOM 0 HA ILE A 47 8.891 2.578 5.341 1.00 1.00 H new ATOM 0 HB ILE A 47 9.769 1.056 7.432 1.00 1.00 H new ATOM 0 HG12 ILE A 47 9.306 3.031 8.768 1.00 1.00 H new ATOM 0 HG13 ILE A 47 9.480 4.073 7.370 1.00 1.00 H new ATOM 0 HG21 ILE A 47 11.686 2.262 8.387 1.00 1.00 H new ATOM 0 HG22 ILE A 47 12.108 1.416 6.878 1.00 1.00 H new ATOM 0 HG23 ILE A 47 11.858 3.178 6.871 1.00 1.00 H new ATOM 0 HD11 ILE A 47 7.092 3.629 7.840 1.00 1.00 H new ATOM 0 HD12 ILE A 47 7.556 2.938 6.267 1.00 1.00 H new ATOM 0 HD13 ILE A 47 7.379 1.880 7.687 1.00 1.00 H new ATOM 754 N MET A 48 12.028 1.906 4.616 1.00 1.00 N ATOM 755 CA MET A 48 13.174 2.383 3.861 1.00 1.00 C ATOM 756 C MET A 48 12.736 3.008 2.535 1.00 1.00 C ATOM 757 O MET A 48 12.722 4.230 2.395 1.00 1.00 O ATOM 758 CB MET A 48 14.126 1.217 3.586 1.00 1.00 C ATOM 759 CG MET A 48 13.361 -0.105 3.494 1.00 1.00 C ATOM 760 SD MET A 48 14.211 -1.228 2.398 1.00 1.00 S ATOM 761 CE MET A 48 14.049 -0.340 0.858 1.00 1.00 C ATOM 0 H MET A 48 12.167 1.009 5.082 1.00 1.00 H new ATOM 0 HA MET A 48 13.681 3.146 4.451 1.00 1.00 H new ATOM 0 HB2 MET A 48 14.665 1.395 2.656 1.00 1.00 H new ATOM 0 HB3 MET A 48 14.871 1.156 4.380 1.00 1.00 H new ATOM 0 HG2 MET A 48 13.269 -0.551 4.484 1.00 1.00 H new ATOM 0 HG3 MET A 48 12.350 0.075 3.130 1.00 1.00 H new ATOM 0 HE1 MET A 48 14.434 -0.952 0.043 1.00 1.00 H new ATOM 0 HE2 MET A 48 12.998 -0.114 0.677 1.00 1.00 H new ATOM 0 HE3 MET A 48 14.616 0.589 0.913 1.00 1.00 H new ATOM 771 N GLY A 49 12.389 2.141 1.595 1.00 1.00 N ATOM 772 CA GLY A 49 11.952 2.593 0.285 1.00 1.00 C ATOM 773 C GLY A 49 10.773 3.560 0.404 1.00 1.00 C ATOM 774 O GLY A 49 10.743 4.594 -0.262 1.00 1.00 O ATOM 0 H GLY A 49 12.402 1.128 1.715 1.00 1.00 H new ATOM 0 HA2 GLY A 49 12.779 3.083 -0.229 1.00 1.00 H new ATOM 0 HA3 GLY A 49 11.663 1.735 -0.322 1.00 1.00 H new ATOM 778 N VAL A 50 9.829 3.190 1.258 1.00 1.00 N ATOM 779 CA VAL A 50 8.650 4.012 1.473 1.00 1.00 C ATOM 780 C VAL A 50 9.067 5.334 2.120 1.00 1.00 C ATOM 781 O VAL A 50 8.673 6.405 1.661 1.00 1.00 O ATOM 782 CB VAL A 50 7.618 3.241 2.298 1.00 1.00 C ATOM 783 CG1 VAL A 50 7.129 4.076 3.483 1.00 1.00 C ATOM 784 CG2 VAL A 50 6.446 2.787 1.426 1.00 1.00 C ATOM 0 H VAL A 50 9.857 2.332 1.809 1.00 1.00 H new ATOM 0 HA VAL A 50 8.173 4.252 0.523 1.00 1.00 H new ATOM 0 HB VAL A 50 8.105 2.350 2.694 1.00 1.00 H new ATOM 0 HG11 VAL A 50 6.396 3.505 4.053 1.00 1.00 H new ATOM 0 HG12 VAL A 50 7.974 4.326 4.125 1.00 1.00 H new ATOM 0 HG13 VAL A 50 6.668 4.993 3.116 1.00 1.00 H new ATOM 0 HG21 VAL A 50 5.727 2.241 2.038 1.00 1.00 H new ATOM 0 HG22 VAL A 50 5.961 3.658 0.986 1.00 1.00 H new ATOM 0 HG23 VAL A 50 6.814 2.137 0.632 1.00 1.00 H new ATOM 794 N MET A 51 9.857 5.215 3.177 1.00 1.00 N ATOM 795 CA MET A 51 10.331 6.388 3.892 1.00 1.00 C ATOM 796 C MET A 51 10.701 7.510 2.921 1.00 1.00 C ATOM 797 O MET A 51 10.128 8.597 2.975 1.00 1.00 O ATOM 798 CB MET A 51 11.554 6.015 4.732 1.00 1.00 C ATOM 799 CG MET A 51 12.206 7.260 5.336 1.00 1.00 C ATOM 800 SD MET A 51 11.103 8.010 6.523 1.00 1.00 S ATOM 801 CE MET A 51 10.233 6.561 7.096 1.00 1.00 C ATOM 0 H MET A 51 10.181 4.325 3.555 1.00 1.00 H new ATOM 0 HA MET A 51 9.530 6.744 4.540 1.00 1.00 H new ATOM 0 HB2 MET A 51 11.258 5.333 5.529 1.00 1.00 H new ATOM 0 HB3 MET A 51 12.278 5.486 4.112 1.00 1.00 H new ATOM 0 HG2 MET A 51 13.145 6.991 5.819 1.00 1.00 H new ATOM 0 HG3 MET A 51 12.446 7.974 4.548 1.00 1.00 H new ATOM 0 HE1 MET A 51 9.715 6.792 8.027 1.00 1.00 H new ATOM 0 HE2 MET A 51 9.507 6.251 6.344 1.00 1.00 H new ATOM 0 HE3 MET A 51 10.945 5.753 7.268 1.00 1.00 H new ATOM 811 N SER A 52 11.657 7.209 2.055 1.00 1.00 N ATOM 812 CA SER A 52 12.111 8.179 1.073 1.00 1.00 C ATOM 813 C SER A 52 10.959 8.555 0.139 1.00 1.00 C ATOM 814 O SER A 52 11.041 9.546 -0.585 1.00 1.00 O ATOM 815 CB SER A 52 13.292 7.635 0.266 1.00 1.00 C ATOM 816 OG SER A 52 12.879 6.681 -0.708 1.00 1.00 O ATOM 0 H SER A 52 12.130 6.306 2.013 1.00 1.00 H new ATOM 0 HA SER A 52 12.448 9.070 1.603 1.00 1.00 H new ATOM 0 HB2 SER A 52 13.803 8.460 -0.229 1.00 1.00 H new ATOM 0 HB3 SER A 52 14.012 7.174 0.943 1.00 1.00 H new ATOM 0 HG SER A 52 12.165 6.122 -0.336 1.00 1.00 H new ATOM 822 N LEU A 53 9.912 7.745 0.186 1.00 1.00 N ATOM 823 CA LEU A 53 8.745 7.981 -0.647 1.00 1.00 C ATOM 824 C LEU A 53 7.704 8.768 0.152 1.00 1.00 C ATOM 825 O LEU A 53 7.744 9.997 0.189 1.00 1.00 O ATOM 826 CB LEU A 53 8.216 6.662 -1.214 1.00 1.00 C ATOM 827 CG LEU A 53 8.241 6.529 -2.739 1.00 1.00 C ATOM 828 CD1 LEU A 53 7.470 5.289 -3.194 1.00 1.00 C ATOM 829 CD2 LEU A 53 7.724 7.804 -3.408 1.00 1.00 C ATOM 0 H LEU A 53 9.847 6.924 0.788 1.00 1.00 H new ATOM 0 HA LEU A 53 9.011 8.589 -1.511 1.00 1.00 H new ATOM 0 HB2 LEU A 53 8.800 5.846 -0.788 1.00 1.00 H new ATOM 0 HB3 LEU A 53 7.189 6.529 -0.874 1.00 1.00 H new ATOM 0 HG LEU A 53 9.276 6.397 -3.054 1.00 1.00 H new ATOM 0 HD11 LEU A 53 7.503 5.218 -4.281 1.00 1.00 H new ATOM 0 HD12 LEU A 53 7.923 4.399 -2.758 1.00 1.00 H new ATOM 0 HD13 LEU A 53 6.433 5.365 -2.867 1.00 1.00 H new ATOM 0 HD21 LEU A 53 7.752 7.684 -4.491 1.00 1.00 H new ATOM 0 HD22 LEU A 53 6.698 7.991 -3.090 1.00 1.00 H new ATOM 0 HD23 LEU A 53 8.353 8.647 -3.120 1.00 1.00 H new ATOM 841 N GLY A 54 6.797 8.027 0.772 1.00 1.00 N ATOM 842 CA GLY A 54 5.747 8.641 1.568 1.00 1.00 C ATOM 843 C GLY A 54 4.907 9.600 0.722 1.00 1.00 C ATOM 844 O GLY A 54 5.450 10.448 0.015 1.00 1.00 O ATOM 0 H GLY A 54 6.767 7.008 0.739 1.00 1.00 H new ATOM 0 HA2 GLY A 54 5.106 7.867 1.991 1.00 1.00 H new ATOM 0 HA3 GLY A 54 6.189 9.181 2.405 1.00 1.00 H new ATOM 848 N VAL A 55 3.597 9.433 0.822 1.00 1.00 N ATOM 849 CA VAL A 55 2.676 10.273 0.075 1.00 1.00 C ATOM 850 C VAL A 55 1.806 11.064 1.053 1.00 1.00 C ATOM 851 O VAL A 55 2.011 10.999 2.264 1.00 1.00 O ATOM 852 CB VAL A 55 1.859 9.420 -0.897 1.00 1.00 C ATOM 853 CG1 VAL A 55 2.300 9.660 -2.342 1.00 1.00 C ATOM 854 CG2 VAL A 55 1.952 7.936 -0.535 1.00 1.00 C ATOM 0 H VAL A 55 3.151 8.728 1.409 1.00 1.00 H new ATOM 0 HA VAL A 55 3.224 10.995 -0.530 1.00 1.00 H new ATOM 0 HB VAL A 55 0.815 9.722 -0.811 1.00 1.00 H new ATOM 0 HG11 VAL A 55 1.703 9.041 -3.012 1.00 1.00 H new ATOM 0 HG12 VAL A 55 2.159 10.711 -2.596 1.00 1.00 H new ATOM 0 HG13 VAL A 55 3.353 9.399 -2.449 1.00 1.00 H new ATOM 0 HG21 VAL A 55 1.362 7.352 -1.241 1.00 1.00 H new ATOM 0 HG22 VAL A 55 2.993 7.615 -0.579 1.00 1.00 H new ATOM 0 HG23 VAL A 55 1.567 7.783 0.473 1.00 1.00 H new ATOM 864 N GLY A 56 0.852 11.793 0.492 1.00 1.00 N ATOM 865 CA GLY A 56 -0.050 12.595 1.300 1.00 1.00 C ATOM 866 C GLY A 56 -0.791 13.621 0.439 1.00 1.00 C ATOM 867 O GLY A 56 -1.844 13.321 -0.122 1.00 1.00 O ATOM 0 H GLY A 56 0.684 11.845 -0.513 1.00 1.00 H new ATOM 0 HA2 GLY A 56 -0.770 11.947 1.800 1.00 1.00 H new ATOM 0 HA3 GLY A 56 0.513 13.108 2.080 1.00 1.00 H new ATOM 871 N GLN A 57 -0.212 14.810 0.362 1.00 1.00 N ATOM 872 CA GLN A 57 -0.803 15.882 -0.420 1.00 1.00 C ATOM 873 C GLN A 57 -1.464 15.317 -1.680 1.00 1.00 C ATOM 874 O GLN A 57 -0.886 15.369 -2.764 1.00 1.00 O ATOM 875 CB GLN A 57 0.241 16.942 -0.776 1.00 1.00 C ATOM 876 CG GLN A 57 1.163 16.449 -1.893 1.00 1.00 C ATOM 877 CD GLN A 57 2.574 17.020 -1.731 1.00 1.00 C ATOM 878 OE1 GLN A 57 2.849 17.823 -0.854 1.00 1.00 O ATOM 879 NE2 GLN A 57 3.448 16.562 -2.622 1.00 1.00 N ATOM 0 H GLN A 57 0.661 15.055 0.829 1.00 1.00 H new ATOM 0 HA GLN A 57 -1.571 16.366 0.184 1.00 1.00 H new ATOM 0 HB2 GLN A 57 -0.258 17.859 -1.090 1.00 1.00 H new ATOM 0 HB3 GLN A 57 0.832 17.187 0.107 1.00 1.00 H new ATOM 0 HG2 GLN A 57 1.204 15.360 -1.882 1.00 1.00 H new ATOM 0 HG3 GLN A 57 0.757 16.743 -2.861 1.00 1.00 H new ATOM 0 HE21 GLN A 57 3.150 15.890 -3.330 1.00 1.00 H new ATOM 0 HE22 GLN A 57 4.416 16.882 -2.598 1.00 1.00 H new ATOM 888 N GLY A 58 -2.665 14.791 -1.494 1.00 1.00 N ATOM 889 CA GLY A 58 -3.410 14.218 -2.602 1.00 1.00 C ATOM 890 C GLY A 58 -2.504 13.359 -3.487 1.00 1.00 C ATOM 891 O GLY A 58 -2.919 12.905 -4.552 1.00 1.00 O ATOM 0 H GLY A 58 -3.141 14.749 -0.593 1.00 1.00 H new ATOM 0 HA2 GLY A 58 -4.230 13.611 -2.218 1.00 1.00 H new ATOM 0 HA3 GLY A 58 -3.855 15.016 -3.197 1.00 1.00 H new ATOM 895 N SER A 59 -1.282 13.163 -3.012 1.00 1.00 N ATOM 896 CA SER A 59 -0.313 12.367 -3.747 1.00 1.00 C ATOM 897 C SER A 59 -0.987 11.116 -4.314 1.00 1.00 C ATOM 898 O SER A 59 -2.093 10.764 -3.908 1.00 1.00 O ATOM 899 CB SER A 59 0.867 11.976 -2.855 1.00 1.00 C ATOM 900 OG SER A 59 1.382 13.090 -2.131 1.00 1.00 O ATOM 0 H SER A 59 -0.941 13.541 -2.128 1.00 1.00 H new ATOM 0 HA SER A 59 0.072 12.969 -4.570 1.00 1.00 H new ATOM 0 HB2 SER A 59 0.551 11.203 -2.154 1.00 1.00 H new ATOM 0 HB3 SER A 59 1.658 11.546 -3.469 1.00 1.00 H new ATOM 0 HG SER A 59 2.133 12.798 -1.573 1.00 1.00 H new ATOM 906 N ASP A 60 -0.291 10.479 -5.245 1.00 1.00 N ATOM 907 CA ASP A 60 -0.808 9.275 -5.873 1.00 1.00 C ATOM 908 C ASP A 60 0.232 8.158 -5.756 1.00 1.00 C ATOM 909 O ASP A 60 1.433 8.415 -5.813 1.00 1.00 O ATOM 910 CB ASP A 60 -1.089 9.506 -7.359 1.00 1.00 C ATOM 911 CG ASP A 60 0.153 9.561 -8.251 1.00 1.00 C ATOM 912 OD1 ASP A 60 0.803 10.629 -8.254 1.00 1.00 O ATOM 913 OD2 ASP A 60 0.424 8.535 -8.911 1.00 1.00 O ATOM 0 H ASP A 60 0.626 10.774 -5.579 1.00 1.00 H new ATOM 0 HA ASP A 60 -1.735 9.003 -5.369 1.00 1.00 H new ATOM 0 HB2 ASP A 60 -1.741 8.710 -7.718 1.00 1.00 H new ATOM 0 HB3 ASP A 60 -1.638 10.441 -7.468 1.00 1.00 H new ATOM 918 N VAL A 61 -0.269 6.942 -5.596 1.00 1.00 N ATOM 919 CA VAL A 61 0.601 5.785 -5.471 1.00 1.00 C ATOM 920 C VAL A 61 -0.078 4.571 -6.106 1.00 1.00 C ATOM 921 O VAL A 61 -1.211 4.664 -6.577 1.00 1.00 O ATOM 922 CB VAL A 61 0.969 5.564 -4.002 1.00 1.00 C ATOM 923 CG1 VAL A 61 1.701 6.780 -3.431 1.00 1.00 C ATOM 924 CG2 VAL A 61 -0.271 5.229 -3.170 1.00 1.00 C ATOM 0 H VAL A 61 -1.266 6.733 -5.550 1.00 1.00 H new ATOM 0 HA VAL A 61 1.536 5.951 -6.006 1.00 1.00 H new ATOM 0 HB VAL A 61 1.646 4.711 -3.951 1.00 1.00 H new ATOM 0 HG11 VAL A 61 1.951 6.597 -2.386 1.00 1.00 H new ATOM 0 HG12 VAL A 61 2.616 6.953 -3.998 1.00 1.00 H new ATOM 0 HG13 VAL A 61 1.059 7.658 -3.502 1.00 1.00 H new ATOM 0 HG21 VAL A 61 0.019 5.077 -2.130 1.00 1.00 H new ATOM 0 HG22 VAL A 61 -0.984 6.052 -3.231 1.00 1.00 H new ATOM 0 HG23 VAL A 61 -0.733 4.320 -3.555 1.00 1.00 H new ATOM 934 N THR A 62 0.642 3.459 -6.099 1.00 1.00 N ATOM 935 CA THR A 62 0.123 2.227 -6.669 1.00 1.00 C ATOM 936 C THR A 62 0.388 1.051 -5.728 1.00 1.00 C ATOM 937 O THR A 62 1.515 0.855 -5.274 1.00 1.00 O ATOM 938 CB THR A 62 0.746 2.049 -8.055 1.00 1.00 C ATOM 939 OG1 THR A 62 -0.215 2.615 -8.943 1.00 1.00 O ATOM 940 CG2 THR A 62 0.823 0.580 -8.478 1.00 1.00 C ATOM 0 H THR A 62 1.581 3.385 -5.707 1.00 1.00 H new ATOM 0 HA THR A 62 -0.960 2.270 -6.786 1.00 1.00 H new ATOM 0 HB THR A 62 1.746 2.482 -8.061 1.00 1.00 H new ATOM 0 HG1 THR A 62 0.229 3.246 -9.547 1.00 1.00 H new ATOM 0 HG21 THR A 62 1.273 0.510 -9.468 1.00 1.00 H new ATOM 0 HG22 THR A 62 1.432 0.027 -7.763 1.00 1.00 H new ATOM 0 HG23 THR A 62 -0.181 0.156 -8.504 1.00 1.00 H new ATOM 948 N ILE A 63 -0.669 0.297 -5.463 1.00 1.00 N ATOM 949 CA ILE A 63 -0.564 -0.856 -4.584 1.00 1.00 C ATOM 950 C ILE A 63 -0.500 -2.131 -5.427 1.00 1.00 C ATOM 951 O ILE A 63 -0.962 -2.149 -6.567 1.00 1.00 O ATOM 952 CB ILE A 63 -1.701 -0.853 -3.559 1.00 1.00 C ATOM 953 CG1 ILE A 63 -1.154 -0.934 -2.133 1.00 1.00 C ATOM 954 CG2 ILE A 63 -2.706 -1.969 -3.852 1.00 1.00 C ATOM 955 CD1 ILE A 63 -1.151 0.443 -1.467 1.00 1.00 C ATOM 0 H ILE A 63 -1.602 0.462 -5.841 1.00 1.00 H new ATOM 0 HA ILE A 63 0.358 -0.810 -4.004 1.00 1.00 H new ATOM 0 HB ILE A 63 -2.236 0.093 -3.645 1.00 1.00 H new ATOM 0 HG12 ILE A 63 -1.760 -1.624 -1.546 1.00 1.00 H new ATOM 0 HG13 ILE A 63 -0.141 -1.335 -2.151 1.00 1.00 H new ATOM 0 HG21 ILE A 63 -3.503 -1.945 -3.109 1.00 1.00 H new ATOM 0 HG22 ILE A 63 -3.131 -1.825 -4.845 1.00 1.00 H new ATOM 0 HG23 ILE A 63 -2.201 -2.934 -3.810 1.00 1.00 H new ATOM 0 HD11 ILE A 63 -0.757 0.356 -0.454 1.00 1.00 H new ATOM 0 HD12 ILE A 63 -0.525 1.124 -2.043 1.00 1.00 H new ATOM 0 HD13 ILE A 63 -2.169 0.831 -1.429 1.00 1.00 H new ATOM 967 N THR A 64 0.078 -3.165 -4.834 1.00 1.00 N ATOM 968 CA THR A 64 0.209 -4.441 -5.516 1.00 1.00 C ATOM 969 C THR A 64 -0.130 -5.592 -4.566 1.00 1.00 C ATOM 970 O THR A 64 0.158 -5.520 -3.372 1.00 1.00 O ATOM 971 CB THR A 64 1.623 -4.526 -6.093 1.00 1.00 C ATOM 972 OG1 THR A 64 1.908 -3.194 -6.512 1.00 1.00 O ATOM 973 CG2 THR A 64 1.681 -5.343 -7.385 1.00 1.00 C ATOM 0 H THR A 64 0.461 -3.145 -3.889 1.00 1.00 H new ATOM 0 HA THR A 64 -0.499 -4.523 -6.340 1.00 1.00 H new ATOM 0 HB THR A 64 2.290 -4.969 -5.353 1.00 1.00 H new ATOM 0 HG1 THR A 64 2.808 -3.158 -6.898 1.00 1.00 H new ATOM 0 HG21 THR A 64 2.707 -5.371 -7.752 1.00 1.00 H new ATOM 0 HG22 THR A 64 1.338 -6.359 -7.189 1.00 1.00 H new ATOM 0 HG23 THR A 64 1.040 -4.882 -8.136 1.00 1.00 H new ATOM 981 N VAL A 65 -0.736 -6.625 -5.131 1.00 1.00 N ATOM 982 CA VAL A 65 -1.116 -7.789 -4.349 1.00 1.00 C ATOM 983 C VAL A 65 -0.929 -9.050 -5.195 1.00 1.00 C ATOM 984 O VAL A 65 -1.492 -9.161 -6.283 1.00 1.00 O ATOM 985 CB VAL A 65 -2.546 -7.625 -3.828 1.00 1.00 C ATOM 986 CG1 VAL A 65 -3.566 -8.064 -4.881 1.00 1.00 C ATOM 987 CG2 VAL A 65 -2.744 -8.392 -2.519 1.00 1.00 C ATOM 0 H VAL A 65 -0.973 -6.680 -6.121 1.00 1.00 H new ATOM 0 HA VAL A 65 -0.474 -7.887 -3.473 1.00 1.00 H new ATOM 0 HB VAL A 65 -2.709 -6.567 -3.624 1.00 1.00 H new ATOM 0 HG11 VAL A 65 -4.574 -7.938 -4.486 1.00 1.00 H new ATOM 0 HG12 VAL A 65 -3.449 -7.455 -5.777 1.00 1.00 H new ATOM 0 HG13 VAL A 65 -3.403 -9.112 -5.131 1.00 1.00 H new ATOM 0 HG21 VAL A 65 -3.768 -8.259 -2.171 1.00 1.00 H new ATOM 0 HG22 VAL A 65 -2.552 -9.452 -2.686 1.00 1.00 H new ATOM 0 HG23 VAL A 65 -2.053 -8.012 -1.767 1.00 1.00 H new ATOM 997 N ASP A 66 -0.137 -9.969 -4.663 1.00 1.00 N ATOM 998 CA ASP A 66 0.131 -11.218 -5.355 1.00 1.00 C ATOM 999 C ASP A 66 0.152 -12.364 -4.342 1.00 1.00 C ATOM 1000 O ASP A 66 0.828 -12.279 -3.317 1.00 1.00 O ATOM 1001 CB ASP A 66 1.492 -11.179 -6.053 1.00 1.00 C ATOM 1002 CG ASP A 66 2.079 -9.780 -6.249 1.00 1.00 C ATOM 1003 OD1 ASP A 66 1.275 -8.858 -6.502 1.00 1.00 O ATOM 1004 OD2 ASP A 66 3.319 -9.665 -6.140 1.00 1.00 O ATOM 0 H ASP A 66 0.328 -9.874 -3.760 1.00 1.00 H new ATOM 0 HA ASP A 66 -0.652 -11.366 -6.098 1.00 1.00 H new ATOM 0 HB2 ASP A 66 2.198 -11.775 -5.474 1.00 1.00 H new ATOM 0 HB3 ASP A 66 1.397 -11.657 -7.028 1.00 1.00 H new ATOM 1009 N GLY A 67 -0.596 -13.409 -4.663 1.00 1.00 N ATOM 1010 CA GLY A 67 -0.672 -14.571 -3.793 1.00 1.00 C ATOM 1011 C GLY A 67 -2.127 -14.971 -3.539 1.00 1.00 C ATOM 1012 O GLY A 67 -2.998 -14.717 -4.369 1.00 1.00 O ATOM 0 H GLY A 67 -1.155 -13.476 -5.514 1.00 1.00 H new ATOM 0 HA2 GLY A 67 -0.136 -15.405 -4.246 1.00 1.00 H new ATOM 0 HA3 GLY A 67 -0.180 -14.353 -2.845 1.00 1.00 H new ATOM 1016 N ALA A 68 -2.344 -15.591 -2.388 1.00 1.00 N ATOM 1017 CA ALA A 68 -3.678 -16.030 -2.015 1.00 1.00 C ATOM 1018 C ALA A 68 -4.486 -14.828 -1.523 1.00 1.00 C ATOM 1019 O ALA A 68 -5.568 -14.550 -2.038 1.00 1.00 O ATOM 1020 CB ALA A 68 -3.576 -17.134 -0.961 1.00 1.00 C ATOM 0 H ALA A 68 -1.619 -15.800 -1.702 1.00 1.00 H new ATOM 0 HA ALA A 68 -4.199 -16.448 -2.876 1.00 1.00 H new ATOM 0 HB1 ALA A 68 -4.577 -17.463 -0.681 1.00 1.00 H new ATOM 0 HB2 ALA A 68 -3.018 -17.976 -1.369 1.00 1.00 H new ATOM 0 HB3 ALA A 68 -3.061 -16.750 -0.080 1.00 1.00 H new ATOM 1026 N ASP A 69 -3.930 -14.146 -0.532 1.00 1.00 N ATOM 1027 CA ASP A 69 -4.585 -12.980 0.035 1.00 1.00 C ATOM 1028 C ASP A 69 -4.868 -11.968 -1.077 1.00 1.00 C ATOM 1029 O ASP A 69 -5.824 -11.198 -0.992 1.00 1.00 O ATOM 1030 CB ASP A 69 -3.695 -12.301 1.078 1.00 1.00 C ATOM 1031 CG ASP A 69 -3.993 -12.681 2.530 1.00 1.00 C ATOM 1032 OD1 ASP A 69 -3.890 -13.889 2.832 1.00 1.00 O ATOM 1033 OD2 ASP A 69 -4.319 -11.755 3.303 1.00 1.00 O ATOM 0 H ASP A 69 -3.032 -14.379 -0.107 1.00 1.00 H new ATOM 0 HA ASP A 69 -5.509 -13.310 0.510 1.00 1.00 H new ATOM 0 HB2 ASP A 69 -2.655 -12.545 0.861 1.00 1.00 H new ATOM 0 HB3 ASP A 69 -3.797 -11.221 0.973 1.00 1.00 H new ATOM 1038 N GLU A 70 -4.019 -12.002 -2.094 1.00 1.00 N ATOM 1039 CA GLU A 70 -4.166 -11.097 -3.221 1.00 1.00 C ATOM 1040 C GLU A 70 -5.530 -10.405 -3.172 1.00 1.00 C ATOM 1041 O GLU A 70 -5.605 -9.181 -3.079 1.00 1.00 O ATOM 1042 CB GLU A 70 -3.975 -11.837 -4.547 1.00 1.00 C ATOM 1043 CG GLU A 70 -4.984 -12.978 -4.688 1.00 1.00 C ATOM 1044 CD GLU A 70 -6.243 -12.508 -5.421 1.00 1.00 C ATOM 1045 OE1 GLU A 70 -6.102 -11.594 -6.262 1.00 1.00 O ATOM 1046 OE2 GLU A 70 -7.318 -13.073 -5.123 1.00 1.00 O ATOM 0 H GLU A 70 -3.227 -12.642 -2.161 1.00 1.00 H new ATOM 0 HA GLU A 70 -3.390 -10.334 -3.153 1.00 1.00 H new ATOM 0 HB2 GLU A 70 -4.091 -11.140 -5.377 1.00 1.00 H new ATOM 0 HB3 GLU A 70 -2.961 -12.234 -4.603 1.00 1.00 H new ATOM 0 HG2 GLU A 70 -4.529 -13.805 -5.233 1.00 1.00 H new ATOM 0 HG3 GLU A 70 -5.253 -13.355 -3.701 1.00 1.00 H new ATOM 1053 N ALA A 71 -6.574 -11.218 -3.236 1.00 1.00 N ATOM 1054 CA ALA A 71 -7.930 -10.699 -3.200 1.00 1.00 C ATOM 1055 C ALA A 71 -8.151 -9.952 -1.883 1.00 1.00 C ATOM 1056 O ALA A 71 -8.280 -8.729 -1.873 1.00 1.00 O ATOM 1057 CB ALA A 71 -8.922 -11.848 -3.391 1.00 1.00 C ATOM 0 H ALA A 71 -6.508 -12.233 -3.313 1.00 1.00 H new ATOM 0 HA ALA A 71 -8.091 -9.990 -4.012 1.00 1.00 H new ATOM 0 HB1 ALA A 71 -9.940 -11.458 -3.364 1.00 1.00 H new ATOM 0 HB2 ALA A 71 -8.742 -12.328 -4.353 1.00 1.00 H new ATOM 0 HB3 ALA A 71 -8.792 -12.578 -2.592 1.00 1.00 H new ATOM 1063 N GLU A 72 -8.187 -10.719 -0.803 1.00 1.00 N ATOM 1064 CA GLU A 72 -8.390 -10.145 0.516 1.00 1.00 C ATOM 1065 C GLU A 72 -7.353 -9.052 0.785 1.00 1.00 C ATOM 1066 O GLU A 72 -7.699 -7.960 1.234 1.00 1.00 O ATOM 1067 CB GLU A 72 -8.340 -11.226 1.598 1.00 1.00 C ATOM 1068 CG GLU A 72 -7.460 -10.787 2.770 1.00 1.00 C ATOM 1069 CD GLU A 72 -8.084 -9.603 3.512 1.00 1.00 C ATOM 1070 OE1 GLU A 72 -9.190 -9.797 4.062 1.00 1.00 O ATOM 1071 OE2 GLU A 72 -7.442 -8.531 3.511 1.00 1.00 O ATOM 0 H GLU A 72 -8.079 -11.733 -0.815 1.00 1.00 H new ATOM 0 HA GLU A 72 -9.381 -9.693 0.545 1.00 1.00 H new ATOM 0 HB2 GLU A 72 -9.348 -11.436 1.954 1.00 1.00 H new ATOM 0 HB3 GLU A 72 -7.952 -12.152 1.174 1.00 1.00 H new ATOM 0 HG2 GLU A 72 -7.323 -11.621 3.459 1.00 1.00 H new ATOM 0 HG3 GLU A 72 -6.471 -10.511 2.403 1.00 1.00 H new ATOM 1078 N GLY A 73 -6.103 -9.384 0.497 1.00 1.00 N ATOM 1079 CA GLY A 73 -5.014 -8.444 0.702 1.00 1.00 C ATOM 1080 C GLY A 73 -5.360 -7.069 0.126 1.00 1.00 C ATOM 1081 O GLY A 73 -5.686 -6.145 0.869 1.00 1.00 O ATOM 0 H GLY A 73 -5.820 -10.290 0.124 1.00 1.00 H new ATOM 0 HA2 GLY A 73 -4.803 -8.353 1.768 1.00 1.00 H new ATOM 0 HA3 GLY A 73 -4.108 -8.823 0.229 1.00 1.00 H new ATOM 1085 N MET A 74 -5.278 -6.978 -1.193 1.00 1.00 N ATOM 1086 CA MET A 74 -5.578 -5.732 -1.877 1.00 1.00 C ATOM 1087 C MET A 74 -6.991 -5.249 -1.542 1.00 1.00 C ATOM 1088 O MET A 74 -7.239 -4.047 -1.469 1.00 1.00 O ATOM 1089 CB MET A 74 -5.452 -5.936 -3.388 1.00 1.00 C ATOM 1090 CG MET A 74 -6.395 -7.040 -3.872 1.00 1.00 C ATOM 1091 SD MET A 74 -7.757 -6.326 -4.778 1.00 1.00 S ATOM 1092 CE MET A 74 -9.112 -7.261 -4.089 1.00 1.00 C ATOM 0 H MET A 74 -5.008 -7.747 -1.806 1.00 1.00 H new ATOM 0 HA MET A 74 -4.868 -4.976 -1.543 1.00 1.00 H new ATOM 0 HB2 MET A 74 -5.681 -5.004 -3.905 1.00 1.00 H new ATOM 0 HB3 MET A 74 -4.423 -6.195 -3.639 1.00 1.00 H new ATOM 0 HG2 MET A 74 -5.853 -7.740 -4.507 1.00 1.00 H new ATOM 0 HG3 MET A 74 -6.771 -7.607 -3.021 1.00 1.00 H new ATOM 0 HE1 MET A 74 -9.538 -7.905 -4.858 1.00 1.00 H new ATOM 0 HE2 MET A 74 -8.749 -7.874 -3.264 1.00 1.00 H new ATOM 0 HE3 MET A 74 -9.877 -6.577 -3.723 1.00 1.00 H new ATOM 1102 N ALA A 75 -7.880 -6.212 -1.348 1.00 1.00 N ATOM 1103 CA ALA A 75 -9.261 -5.900 -1.023 1.00 1.00 C ATOM 1104 C ALA A 75 -9.294 -4.852 0.091 1.00 1.00 C ATOM 1105 O ALA A 75 -9.969 -3.831 -0.033 1.00 1.00 O ATOM 1106 CB ALA A 75 -9.997 -7.185 -0.637 1.00 1.00 C ATOM 0 H ALA A 75 -7.671 -7.208 -1.410 1.00 1.00 H new ATOM 0 HA ALA A 75 -9.773 -5.478 -1.888 1.00 1.00 H new ATOM 0 HB1 ALA A 75 -11.033 -6.951 -0.393 1.00 1.00 H new ATOM 0 HB2 ALA A 75 -9.970 -7.885 -1.472 1.00 1.00 H new ATOM 0 HB3 ALA A 75 -9.513 -7.635 0.230 1.00 1.00 H new ATOM 1112 N ALA A 76 -8.558 -5.141 1.154 1.00 1.00 N ATOM 1113 CA ALA A 76 -8.494 -4.236 2.289 1.00 1.00 C ATOM 1114 C ALA A 76 -7.811 -2.936 1.861 1.00 1.00 C ATOM 1115 O ALA A 76 -8.395 -1.859 1.969 1.00 1.00 O ATOM 1116 CB ALA A 76 -7.769 -4.921 3.448 1.00 1.00 C ATOM 0 H ALA A 76 -8.001 -5.989 1.253 1.00 1.00 H new ATOM 0 HA ALA A 76 -9.496 -3.983 2.635 1.00 1.00 H new ATOM 0 HB1 ALA A 76 -7.721 -4.242 4.299 1.00 1.00 H new ATOM 0 HB2 ALA A 76 -8.310 -5.823 3.733 1.00 1.00 H new ATOM 0 HB3 ALA A 76 -6.758 -5.187 3.139 1.00 1.00 H new ATOM 1122 N ILE A 77 -6.583 -3.079 1.384 1.00 1.00 N ATOM 1123 CA ILE A 77 -5.814 -1.929 0.939 1.00 1.00 C ATOM 1124 C ILE A 77 -6.696 -1.039 0.062 1.00 1.00 C ATOM 1125 O ILE A 77 -6.874 0.143 0.351 1.00 1.00 O ATOM 1126 CB ILE A 77 -4.522 -2.381 0.255 1.00 1.00 C ATOM 1127 CG1 ILE A 77 -3.325 -2.241 1.196 1.00 1.00 C ATOM 1128 CG2 ILE A 77 -4.308 -1.629 -1.061 1.00 1.00 C ATOM 1129 CD1 ILE A 77 -3.346 -0.890 1.913 1.00 1.00 C ATOM 0 H ILE A 77 -6.102 -3.974 1.296 1.00 1.00 H new ATOM 0 HA ILE A 77 -5.502 -1.326 1.792 1.00 1.00 H new ATOM 0 HB ILE A 77 -4.616 -3.439 0.011 1.00 1.00 H new ATOM 0 HG12 ILE A 77 -3.339 -3.047 1.930 1.00 1.00 H new ATOM 0 HG13 ILE A 77 -2.399 -2.342 0.630 1.00 1.00 H new ATOM 0 HG21 ILE A 77 -3.383 -1.968 -1.528 1.00 1.00 H new ATOM 0 HG22 ILE A 77 -5.145 -1.823 -1.731 1.00 1.00 H new ATOM 0 HG23 ILE A 77 -4.243 -0.559 -0.862 1.00 1.00 H new ATOM 0 HD11 ILE A 77 -2.484 -0.816 2.576 1.00 1.00 H new ATOM 0 HD12 ILE A 77 -3.307 -0.087 1.177 1.00 1.00 H new ATOM 0 HD13 ILE A 77 -4.262 -0.803 2.498 1.00 1.00 H new ATOM 1141 N VAL A 78 -7.226 -1.641 -0.993 1.00 1.00 N ATOM 1142 CA VAL A 78 -8.086 -0.918 -1.914 1.00 1.00 C ATOM 1143 C VAL A 78 -9.186 -0.204 -1.125 1.00 1.00 C ATOM 1144 O VAL A 78 -9.296 1.020 -1.176 1.00 1.00 O ATOM 1145 CB VAL A 78 -8.636 -1.873 -2.976 1.00 1.00 C ATOM 1146 CG1 VAL A 78 -9.309 -1.100 -4.112 1.00 1.00 C ATOM 1147 CG2 VAL A 78 -7.534 -2.789 -3.513 1.00 1.00 C ATOM 0 H VAL A 78 -7.076 -2.622 -1.230 1.00 1.00 H new ATOM 0 HA VAL A 78 -7.519 -0.154 -2.445 1.00 1.00 H new ATOM 0 HB VAL A 78 -9.392 -2.500 -2.504 1.00 1.00 H new ATOM 0 HG11 VAL A 78 -9.691 -1.802 -4.853 1.00 1.00 H new ATOM 0 HG12 VAL A 78 -10.134 -0.510 -3.712 1.00 1.00 H new ATOM 0 HG13 VAL A 78 -8.582 -0.437 -4.581 1.00 1.00 H new ATOM 0 HG21 VAL A 78 -7.951 -3.458 -4.266 1.00 1.00 H new ATOM 0 HG22 VAL A 78 -6.745 -2.185 -3.961 1.00 1.00 H new ATOM 0 HG23 VAL A 78 -7.119 -3.378 -2.695 1.00 1.00 H new ATOM 1157 N GLU A 79 -9.971 -1.000 -0.415 1.00 1.00 N ATOM 1158 CA GLU A 79 -11.059 -0.460 0.384 1.00 1.00 C ATOM 1159 C GLU A 79 -10.528 0.592 1.360 1.00 1.00 C ATOM 1160 O GLU A 79 -11.065 1.696 1.442 1.00 1.00 O ATOM 1161 CB GLU A 79 -11.800 -1.573 1.126 1.00 1.00 C ATOM 1162 CG GLU A 79 -13.137 -1.886 0.451 1.00 1.00 C ATOM 1163 CD GLU A 79 -14.306 -1.629 1.405 1.00 1.00 C ATOM 1164 OE1 GLU A 79 -14.529 -0.440 1.721 1.00 1.00 O ATOM 1165 OE2 GLU A 79 -14.949 -2.626 1.796 1.00 1.00 O ATOM 0 H GLU A 79 -9.876 -2.015 -0.376 1.00 1.00 H new ATOM 0 HA GLU A 79 -11.772 0.021 -0.286 1.00 1.00 H new ATOM 0 HB2 GLU A 79 -11.183 -2.471 1.152 1.00 1.00 H new ATOM 0 HB3 GLU A 79 -11.972 -1.274 2.160 1.00 1.00 H new ATOM 0 HG2 GLU A 79 -13.250 -1.272 -0.442 1.00 1.00 H new ATOM 0 HG3 GLU A 79 -13.150 -2.926 0.126 1.00 1.00 H new ATOM 1172 N THR A 80 -9.480 0.212 2.077 1.00 1.00 N ATOM 1173 CA THR A 80 -8.871 1.108 3.045 1.00 1.00 C ATOM 1174 C THR A 80 -8.416 2.400 2.364 1.00 1.00 C ATOM 1175 O THR A 80 -8.672 3.494 2.865 1.00 1.00 O ATOM 1176 CB THR A 80 -7.734 0.354 3.738 1.00 1.00 C ATOM 1177 OG1 THR A 80 -8.107 0.351 5.114 1.00 1.00 O ATOM 1178 CG2 THR A 80 -6.416 1.129 3.711 1.00 1.00 C ATOM 0 H THR A 80 -9.037 -0.704 2.007 1.00 1.00 H new ATOM 0 HA THR A 80 -9.589 1.414 3.806 1.00 1.00 H new ATOM 0 HB THR A 80 -7.595 -0.615 3.258 1.00 1.00 H new ATOM 0 HG1 THR A 80 -7.425 -0.120 5.637 1.00 1.00 H new ATOM 0 HG21 THR A 80 -5.643 0.550 4.216 1.00 1.00 H new ATOM 0 HG22 THR A 80 -6.120 1.307 2.677 1.00 1.00 H new ATOM 0 HG23 THR A 80 -6.545 2.084 4.221 1.00 1.00 H new ATOM 1186 N LEU A 81 -7.749 2.231 1.231 1.00 1.00 N ATOM 1187 CA LEU A 81 -7.256 3.370 0.476 1.00 1.00 C ATOM 1188 C LEU A 81 -8.377 4.401 0.326 1.00 1.00 C ATOM 1189 O LEU A 81 -8.161 5.593 0.540 1.00 1.00 O ATOM 1190 CB LEU A 81 -6.661 2.911 -0.857 1.00 1.00 C ATOM 1191 CG LEU A 81 -5.226 2.382 -0.804 1.00 1.00 C ATOM 1192 CD1 LEU A 81 -4.273 3.304 -1.568 1.00 1.00 C ATOM 1193 CD2 LEU A 81 -4.776 2.163 0.642 1.00 1.00 C ATOM 0 H LEU A 81 -7.539 1.322 0.818 1.00 1.00 H new ATOM 0 HA LEU A 81 -6.442 3.859 1.011 1.00 1.00 H new ATOM 0 HB2 LEU A 81 -7.300 2.130 -1.268 1.00 1.00 H new ATOM 0 HB3 LEU A 81 -6.693 3.748 -1.554 1.00 1.00 H new ATOM 0 HG LEU A 81 -5.201 1.412 -1.300 1.00 1.00 H new ATOM 0 HD11 LEU A 81 -3.260 2.905 -1.515 1.00 1.00 H new ATOM 0 HD12 LEU A 81 -4.584 3.366 -2.611 1.00 1.00 H new ATOM 0 HD13 LEU A 81 -4.295 4.299 -1.124 1.00 1.00 H new ATOM 0 HD21 LEU A 81 -3.753 1.787 0.652 1.00 1.00 H new ATOM 0 HD22 LEU A 81 -4.820 3.108 1.184 1.00 1.00 H new ATOM 0 HD23 LEU A 81 -5.434 1.438 1.122 1.00 1.00 H new ATOM 1205 N GLN A 82 -9.550 3.904 -0.039 1.00 1.00 N ATOM 1206 CA GLN A 82 -10.705 4.767 -0.219 1.00 1.00 C ATOM 1207 C GLN A 82 -11.547 4.800 1.058 1.00 1.00 C ATOM 1208 O GLN A 82 -12.435 5.640 1.198 1.00 1.00 O ATOM 1209 CB GLN A 82 -11.543 4.319 -1.417 1.00 1.00 C ATOM 1210 CG GLN A 82 -10.677 3.597 -2.452 1.00 1.00 C ATOM 1211 CD GLN A 82 -11.172 2.166 -2.678 1.00 1.00 C ATOM 1212 OE1 GLN A 82 -11.846 1.577 -1.850 1.00 1.00 O ATOM 1213 NE2 GLN A 82 -10.800 1.643 -3.843 1.00 1.00 N ATOM 0 H GLN A 82 -9.725 2.915 -0.215 1.00 1.00 H new ATOM 0 HA GLN A 82 -10.351 5.777 -0.423 1.00 1.00 H new ATOM 0 HB2 GLN A 82 -12.341 3.657 -1.080 1.00 1.00 H new ATOM 0 HB3 GLN A 82 -12.019 5.185 -1.877 1.00 1.00 H new ATOM 0 HG2 GLN A 82 -10.696 4.145 -3.394 1.00 1.00 H new ATOM 0 HG3 GLN A 82 -9.641 3.578 -2.115 1.00 1.00 H new ATOM 0 HE21 GLN A 82 -10.235 2.192 -4.491 1.00 1.00 H new ATOM 0 HE22 GLN A 82 -11.080 0.693 -4.088 1.00 1.00 H new ATOM 1222 N LYS A 83 -11.239 3.877 1.956 1.00 1.00 N ATOM 1223 CA LYS A 83 -11.957 3.789 3.217 1.00 1.00 C ATOM 1224 C LYS A 83 -11.353 4.782 4.212 1.00 1.00 C ATOM 1225 O LYS A 83 -12.078 5.429 4.967 1.00 1.00 O ATOM 1226 CB LYS A 83 -11.976 2.346 3.723 1.00 1.00 C ATOM 1227 CG LYS A 83 -11.450 2.261 5.157 1.00 1.00 C ATOM 1228 CD LYS A 83 -11.595 0.842 5.712 1.00 1.00 C ATOM 1229 CE LYS A 83 -11.580 -0.191 4.583 1.00 1.00 C ATOM 1230 NZ LYS A 83 -11.851 -1.545 5.117 1.00 1.00 N ATOM 0 H LYS A 83 -10.502 3.183 1.836 1.00 1.00 H new ATOM 0 HA LYS A 83 -13.002 4.068 3.081 1.00 1.00 H new ATOM 0 HB2 LYS A 83 -12.993 1.956 3.681 1.00 1.00 H new ATOM 0 HB3 LYS A 83 -11.367 1.720 3.071 1.00 1.00 H new ATOM 0 HG2 LYS A 83 -10.402 2.560 5.182 1.00 1.00 H new ATOM 0 HG3 LYS A 83 -11.996 2.960 5.790 1.00 1.00 H new ATOM 0 HD2 LYS A 83 -10.783 0.636 6.410 1.00 1.00 H new ATOM 0 HD3 LYS A 83 -12.526 0.760 6.273 1.00 1.00 H new ATOM 0 HE2 LYS A 83 -12.329 0.068 3.835 1.00 1.00 H new ATOM 0 HE3 LYS A 83 -10.612 -0.178 4.083 1.00 1.00 H new ATOM 0 HZ1 LYS A 83 -11.837 -2.234 4.338 1.00 1.00 H new ATOM 0 HZ2 LYS A 83 -11.121 -1.796 5.814 1.00 1.00 H new ATOM 0 HZ3 LYS A 83 -12.785 -1.557 5.574 1.00 1.00 H new ATOM 1244 N GLU A 84 -10.031 4.872 4.181 1.00 1.00 N ATOM 1245 CA GLU A 84 -9.322 5.776 5.072 1.00 1.00 C ATOM 1246 C GLU A 84 -9.019 7.095 4.358 1.00 1.00 C ATOM 1247 O GLU A 84 -8.177 7.869 4.809 1.00 1.00 O ATOM 1248 CB GLU A 84 -8.040 5.130 5.600 1.00 1.00 C ATOM 1249 CG GLU A 84 -8.223 3.623 5.792 1.00 1.00 C ATOM 1250 CD GLU A 84 -9.135 3.330 6.985 1.00 1.00 C ATOM 1251 OE1 GLU A 84 -9.599 4.314 7.600 1.00 1.00 O ATOM 1252 OE2 GLU A 84 -9.349 2.128 7.254 1.00 1.00 O ATOM 0 H GLU A 84 -9.433 4.334 3.554 1.00 1.00 H new ATOM 0 HA GLU A 84 -9.962 5.988 5.929 1.00 1.00 H new ATOM 0 HB2 GLU A 84 -7.222 5.315 4.903 1.00 1.00 H new ATOM 0 HB3 GLU A 84 -7.761 5.590 6.548 1.00 1.00 H new ATOM 0 HG2 GLU A 84 -8.648 3.187 4.888 1.00 1.00 H new ATOM 0 HG3 GLU A 84 -7.252 3.152 5.947 1.00 1.00 H new ATOM 1259 N GLY A 85 -9.722 7.310 3.256 1.00 1.00 N ATOM 1260 CA GLY A 85 -9.538 8.522 2.476 1.00 1.00 C ATOM 1261 C GLY A 85 -8.057 8.762 2.177 1.00 1.00 C ATOM 1262 O GLY A 85 -7.661 9.877 1.840 1.00 1.00 O ATOM 0 H GLY A 85 -10.420 6.665 2.885 1.00 1.00 H new ATOM 0 HA2 GLY A 85 -10.094 8.445 1.541 1.00 1.00 H new ATOM 0 HA3 GLY A 85 -9.946 9.374 3.020 1.00 1.00 H new ATOM 1266 N LEU A 86 -7.279 7.698 2.310 1.00 1.00 N ATOM 1267 CA LEU A 86 -5.850 7.780 2.059 1.00 1.00 C ATOM 1268 C LEU A 86 -5.598 7.718 0.551 1.00 1.00 C ATOM 1269 O LEU A 86 -4.568 8.188 0.071 1.00 1.00 O ATOM 1270 CB LEU A 86 -5.105 6.705 2.852 1.00 1.00 C ATOM 1271 CG LEU A 86 -4.229 7.206 4.002 1.00 1.00 C ATOM 1272 CD1 LEU A 86 -3.665 6.036 4.812 1.00 1.00 C ATOM 1273 CD2 LEU A 86 -3.125 8.132 3.487 1.00 1.00 C ATOM 0 H LEU A 86 -7.611 6.775 2.588 1.00 1.00 H new ATOM 0 HA LEU A 86 -5.455 8.733 2.410 1.00 1.00 H new ATOM 0 HB2 LEU A 86 -5.838 6.007 3.257 1.00 1.00 H new ATOM 0 HB3 LEU A 86 -4.477 6.142 2.162 1.00 1.00 H new ATOM 0 HG LEU A 86 -4.853 7.793 4.676 1.00 1.00 H new ATOM 0 HD11 LEU A 86 -3.046 6.420 5.623 1.00 1.00 H new ATOM 0 HD12 LEU A 86 -4.486 5.452 5.227 1.00 1.00 H new ATOM 0 HD13 LEU A 86 -3.061 5.402 4.163 1.00 1.00 H new ATOM 0 HD21 LEU A 86 -2.517 8.474 4.324 1.00 1.00 H new ATOM 0 HD22 LEU A 86 -2.497 7.591 2.779 1.00 1.00 H new ATOM 0 HD23 LEU A 86 -3.574 8.992 2.990 1.00 1.00 H new ATOM 1285 N ALA A 87 -6.556 7.134 -0.154 1.00 1.00 N ATOM 1286 CA ALA A 87 -6.451 7.005 -1.597 1.00 1.00 C ATOM 1287 C ALA A 87 -7.853 6.886 -2.198 1.00 1.00 C ATOM 1288 O ALA A 87 -8.801 6.521 -1.504 1.00 1.00 O ATOM 1289 CB ALA A 87 -5.566 5.804 -1.939 1.00 1.00 C ATOM 0 H ALA A 87 -7.409 6.745 0.248 1.00 1.00 H new ATOM 0 HA ALA A 87 -5.982 7.889 -2.028 1.00 1.00 H new ATOM 0 HB1 ALA A 87 -5.487 5.707 -3.022 1.00 1.00 H new ATOM 0 HB2 ALA A 87 -4.573 5.951 -1.514 1.00 1.00 H new ATOM 0 HB3 ALA A 87 -6.007 4.897 -1.525 1.00 1.00 H new ATOM 1295 N GLU A 88 -7.940 7.200 -3.482 1.00 1.00 N ATOM 1296 CA GLU A 88 -9.211 7.133 -4.184 1.00 1.00 C ATOM 1297 C GLU A 88 -9.346 5.793 -4.909 1.00 1.00 C ATOM 1298 O GLU A 88 -8.480 4.927 -4.789 1.00 1.00 O ATOM 1299 CB GLU A 88 -9.360 8.302 -5.160 1.00 1.00 C ATOM 1300 CG GLU A 88 -8.086 8.494 -5.985 1.00 1.00 C ATOM 1301 CD GLU A 88 -8.419 8.920 -7.417 1.00 1.00 C ATOM 1302 OE1 GLU A 88 -9.413 9.661 -7.571 1.00 1.00 O ATOM 1303 OE2 GLU A 88 -7.672 8.494 -8.324 1.00 1.00 O ATOM 0 H GLU A 88 -7.152 7.501 -4.055 1.00 1.00 H new ATOM 0 HA GLU A 88 -10.014 7.210 -3.451 1.00 1.00 H new ATOM 0 HB2 GLU A 88 -10.204 8.120 -5.825 1.00 1.00 H new ATOM 0 HB3 GLU A 88 -9.581 9.215 -4.608 1.00 1.00 H new ATOM 0 HG2 GLU A 88 -7.454 9.248 -5.515 1.00 1.00 H new ATOM 0 HG3 GLU A 88 -7.516 7.565 -6.001 1.00 1.00 H new